(3-methyl-1H-azepin-4-yl)methanol

C8H11NO — CID 70473243

IUPAC(3-methyl-1H-azepin-4-yl)methanol
SMILESCC1=CNC=CC=C1CO
InChIInChI=1S/C8H11NO/c1-7-5-9-4-2-3-8(7)6-10/h2-5,9-10H,6H2,1H3
InChIKeyPHYANYASJRZPGI-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.93
Rot. Bonds1

About (3-methyl-1H-azepin-4-yl)methanol

(3-methyl-1H-azepin-4-yl)methanol (PubChem CID 70473243) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (3-methyl-1H-azepin-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1H-azepin-4-yl)methanol
PubChem CID70473243
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(3-methyl-1H-azepin-4-yl)methanol
SMILESCC1=CNC=CC=C1CO
InChIInChI=1S/C8H11NO/c1-7-5-9-4-2-3-8(7)6-10/h2-5,9-10H,6H2,1H3
InChIKeyPHYANYASJRZPGI-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3-methyl-1H-azepin-4-yl)methanol 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 (3-methyl-1H-azepin-4-yl)methanol?
The IUPAC name of (3-methyl-1H-azepin-4-yl)methanol (CID 70473243) is (3-methyl-1H-azepin-4-yl)methanol.
What is the SMILES notation for (3-methyl-1H-azepin-4-yl)methanol?
The canonical SMILES for (3-methyl-1H-azepin-4-yl)methanol is CC1=CNC=CC=C1CO.
What is the InChIKey of (3-methyl-1H-azepin-4-yl)methanol?
The InChIKey is PHYANYASJRZPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-5-9-4-2-3-8(7)6-10/h2-5,9-10H,6H2,1H3.
What are the key properties of (3-methyl-1H-azepin-4-yl)methanol?
(3-methyl-1H-azepin-4-yl)methanol has a molecular weight of 137.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-azepin-4-yl)methanol is sourced from PubChem (CID 70473243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).