2-(Prop-2-yn-1-yl)cycloheptyl hydrogen carbonimidate
Basic information
- CAS
91340-01-1- Standard SMILES
C#CCC1CCCCCC1OC(N)=O- InChIKey
MLNSMPDCOUPQCA-UHFFFAOYSA-N- Molecular formula
- C11H17NO2
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.12592879
Names & identifiers
- Preferred name
- 2-(Prop-2-yn-1-yl)cycloheptyl hydrogen carbonimidate
- IUPAC
- (2-prop-2-ynylcycloheptyl) carbamate
- English name
- Carbamic acid, 1-(2-propynyl)cycloheptyl ester (6CI,7CI)
- Molecular formula
- C11H17NO2
- Molecular weight
- 195.26
Names & synonyms
91340-01-1DTXSID109198112-(Prop-2-yn-1-yl)cycloheptyl hydrogen carbonimidateRefChem:1062028DTXCID2013487341-(2-Propynyl)cycloheptanol carbamate1-(2-Propynyl)cycloheptyl ester of carbamic acidBRN 3260439Cycloheptanol, 1-(2-propynyl)-, carbamateCARBAMIC ACID, 1-(2-PROPYNYL)CYCLOHEPTYL ESTERCarbamic acid, 1-(2-propynyl)cycloheptyl ester (6CI,7CI)
Database identifiers
- CAS
91340-01-1- PubChem CID
- 56216
- DTXSID
DTXSID10919811
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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