2-chloro-N,N-dimethylcycloheptene-1-carboxamide

C10H16ClNO — CID 134917938

IUPAC2-chloro-N,N-dimethylcycloheptene-1-carboxamide
SMILESCN(C)C(=O)C1=C(Cl)CCCCC1
InChIInChI=1S/C10H16ClNO/c1-12(2)10(13)8-6-4-3-5-7-9(8)11/h3-7H2,1-2H3
InChIKeyCJNJMYCSMVLXRC-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.53
Rot. Bonds1

About 2-chloro-N,N-dimethylcycloheptene-1-carboxamide

2-chloro-N,N-dimethylcycloheptene-1-carboxamide (PubChem CID 134917938) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylcycloheptene-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethylcycloheptene-1-carboxamide
PubChem CID134917938
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-chloro-N,N-dimethylcycloheptene-1-carboxamide
SMILESCN(C)C(=O)C1=C(Cl)CCCCC1
InChIInChI=1S/C10H16ClNO/c1-12(2)10(13)8-6-4-3-5-7-9(8)11/h3-7H2,1-2H3
InChIKeyCJNJMYCSMVLXRC-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylcycloheptene-1-carboxamide?
The IUPAC name of 2-chloro-N,N-dimethylcycloheptene-1-carboxamide (CID 134917938) is 2-chloro-N,N-dimethylcycloheptene-1-carboxamide.
What is the SMILES notation for 2-chloro-N,N-dimethylcycloheptene-1-carboxamide?
The canonical SMILES for 2-chloro-N,N-dimethylcycloheptene-1-carboxamide is CN(C)C(=O)C1=C(Cl)CCCCC1.
What is the InChIKey of 2-chloro-N,N-dimethylcycloheptene-1-carboxamide?
The InChIKey is CJNJMYCSMVLXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-12(2)10(13)8-6-4-3-5-7-9(8)11/h3-7H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethylcycloheptene-1-carboxamide?
2-chloro-N,N-dimethylcycloheptene-1-carboxamide has a molecular weight of 201.70 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylcycloheptene-1-carboxamide is sourced from PubChem (CID 134917938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).