(1-methylcycloheptyl) carbamate

C9H17NO2 — CID 45092374

IUPAC(1-methylcycloheptyl) carbamate
SMILESCC1(OC(N)=O)CCCCCC1
InChIInChI=1S/C9H17NO2/c1-9(12-8(10)11)6-4-2-3-5-7-9/h2-7H2,1H3,(H2,10,11)
InChIKeyNLGMXKIYRHUSMV-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.19
Rot. Bonds1

About (1-methylcycloheptyl) carbamate

(1-methylcycloheptyl) carbamate (PubChem CID 45092374) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-methylcycloheptyl) carbamate.

Molecular Properties

Compound Name(1-methylcycloheptyl) carbamate
PubChem CID45092374
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1-methylcycloheptyl) carbamate
SMILESCC1(OC(N)=O)CCCCCC1
InChIInChI=1S/C9H17NO2/c1-9(12-8(10)11)6-4-2-3-5-7-9/h2-7H2,1H3,(H2,10,11)
InChIKeyNLGMXKIYRHUSMV-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-methylcycloheptyl) carbamate 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 (1-methylcycloheptyl) carbamate?
The IUPAC name of (1-methylcycloheptyl) carbamate (CID 45092374) is (1-methylcycloheptyl) carbamate.
What is the SMILES notation for (1-methylcycloheptyl) carbamate?
The canonical SMILES for (1-methylcycloheptyl) carbamate is CC1(OC(N)=O)CCCCCC1.
What is the InChIKey of (1-methylcycloheptyl) carbamate?
The InChIKey is NLGMXKIYRHUSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(12-8(10)11)6-4-2-3-5-7-9/h2-7H2,1H3,(H2,10,11).
What are the key properties of (1-methylcycloheptyl) carbamate?
(1-methylcycloheptyl) carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcycloheptyl) carbamate is sourced from PubChem (CID 45092374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).