7-chloro-4-methyl-3,4-dihydro-2H-azepine

C7H10ClN — CID 123574094

IUPAC7-chloro-4-methyl-3,4-dihydro-2H-azepine
SMILESCC1C=CC(Cl)=NCC1
InChIInChI=1S/C7H10ClN/c1-6-2-3-7(8)9-5-4-6/h2-3,6H,4-5H2,1H3
InChIKeyCOBHQKFDBSRYNL-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.22
Rot. Bonds

About 7-chloro-4-methyl-3,4-dihydro-2H-azepine

7-chloro-4-methyl-3,4-dihydro-2H-azepine (PubChem CID 123574094) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 7-chloro-4-methyl-3,4-dihydro-2H-azepine.

Molecular Properties

Compound Name7-chloro-4-methyl-3,4-dihydro-2H-azepine
PubChem CID123574094
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name7-chloro-4-methyl-3,4-dihydro-2H-azepine
SMILESCC1C=CC(Cl)=NCC1
InChIInChI=1S/C7H10ClN/c1-6-2-3-7(8)9-5-4-6/h2-3,6H,4-5H2,1H3
InChIKeyCOBHQKFDBSRYNL-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3,4-dihydro-2H-azepine
CID 68099595
3-methyl-3,4-dihydro-2H-azepine
CID 68099596
(3S)-6-chloro-3-methyl-2,3-dihydropyridine
CID 89245175
N-(2-methylhex-4-enyl)ethanimidoyl chloride
CID 90688753
6-Chloro-3-methyl-2,3-dihydropyridine
CID 117748286
(3S)-3-methyl-3,4-dihydro-2H-azepine
CID 121321315
(Z)-N-ethylpent-2-enimidoyl chloride
CID 129074728
4,7-dimethyl-3,4-dihydro-2H-azepine
CID 142083079
7-chloro-3-methyl-4H-azepine
CID 143028513
5-chloro-4,7-dimethyl-3,4-dihydro-2H-azepine
CID 143378595
3,7-dimethyl-3,4-dihydro-2H-azepine
CID 143707511
7-chloro-4-methyl-4H-azepine
CID 144795626

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-3,4-dihydro-2H-azepine?
The IUPAC name of 7-chloro-4-methyl-3,4-dihydro-2H-azepine (CID 123574094) is 7-chloro-4-methyl-3,4-dihydro-2H-azepine.
What is the SMILES notation for 7-chloro-4-methyl-3,4-dihydro-2H-azepine?
The canonical SMILES for 7-chloro-4-methyl-3,4-dihydro-2H-azepine is CC1C=CC(Cl)=NCC1.
What is the InChIKey of 7-chloro-4-methyl-3,4-dihydro-2H-azepine?
The InChIKey is COBHQKFDBSRYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-6-2-3-7(8)9-5-4-6/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-chloro-4-methyl-3,4-dihydro-2H-azepine?
7-chloro-4-methyl-3,4-dihydro-2H-azepine has a molecular weight of 143.62 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-3,4-dihydro-2H-azepine is sourced from PubChem (CID 123574094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).