1-Pyrrolidineacrylic acid, gamma-methyl-, methyl ester
Basic information
- CAS
15424-17-6- Standard SMILES
COC(=O)/C=C(/C)N1CCCC1- InChIKey
UTIVUPFHBDCEGI-FPLPWBNLSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- 1-Pyrrolidineacrylic acid, gamma-methyl-, methyl ester
- IUPAC
- methyl (Z)-3-pyrrolidin-1-ylbut-2-enoate
Names & synonyms
1-Pyrrolidineacrylic acid, gamma-methyl-, methyl esterRefChem:1057069Methyl-3-(N-pyrrolidinyl)crotonate15424-17-62-Butenoic acid, 3-(1-pyrrolidinyl)-, methyl esterNSC-91035methyl (Z)-3-pyrrolidin-1-ylbut-2-enoateNSC 91035Crotonic acid, 3-(1-pyrrolidinyl)-, methyl esterBRN 46710083-Pyrrolizino-2-butenoic acid methyl estermethyl 3-pyrrolidinocrotonate
Show more names
5-20-01-00356 (Beilstein Handbook Reference)SCHEMBL7127720WLN: T5NTJ AY1&U1VO1E639TQ628VNSC91035AKOS0049066491-Pyrrolidineacrylic acid, methyl ester(Z)-3-pyrrolidin-1-yl-but-2-enoic acid methyl ester
Database identifiers
- CAS
15424-17-6- PubChem CID
- 5705359
- UNII
- E639TQ628V
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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