(7S)-7-methyl-1,4-oxazepane;hydrochloride

C6H14ClNO — CID 164533127

IUPAC(7S)-7-methyl-1,4-oxazepane;hydrochloride
SMILESC[C@H]1CCNCCO1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6-2-3-7-4-5-8-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyHQFRUTSERHJURU-RGMNGODLSA-N
MW151.64 g/mol
LogP0.81
Rot. Bonds

About (7S)-7-methyl-1,4-oxazepane;hydrochloride

(7S)-7-methyl-1,4-oxazepane;hydrochloride (PubChem CID 164533127) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (7S)-7-methyl-1,4-oxazepane;hydrochloride.

Molecular Properties

Compound Name(7S)-7-methyl-1,4-oxazepane;hydrochloride
PubChem CID164533127
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(7S)-7-methyl-1,4-oxazepane;hydrochloride
SMILESC[C@H]1CCNCCO1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6-2-3-7-4-5-8-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyHQFRUTSERHJURU-RGMNGODLSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7S)-7-methyl-1,4-oxazepane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-1,4-oxazepane;hydrochloride?
The IUPAC name of (7S)-7-methyl-1,4-oxazepane;hydrochloride (CID 164533127) is (7S)-7-methyl-1,4-oxazepane;hydrochloride.
What is the SMILES notation for (7S)-7-methyl-1,4-oxazepane;hydrochloride?
The canonical SMILES for (7S)-7-methyl-1,4-oxazepane;hydrochloride is C[C@H]1CCNCCO1.Cl.
What is the InChIKey of (7S)-7-methyl-1,4-oxazepane;hydrochloride?
The InChIKey is HQFRUTSERHJURU-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6-2-3-7-4-5-8-6;/h6-7H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (7S)-7-methyl-1,4-oxazepane;hydrochloride?
(7S)-7-methyl-1,4-oxazepane;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-1,4-oxazepane;hydrochloride is sourced from PubChem (CID 164533127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).