1-methoxycycloheptane-1-carbonitrile

C9H15NO — CID 15495961

IUPAC1-methoxycycloheptane-1-carbonitrile
SMILESCOC1(C#N)CCCCCC1
InChIInChI=1S/C9H15NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-7H2,1H3
InChIKeyGELYVNWBNSIMOK-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.25
Rot. Bonds1

About 1-methoxycycloheptane-1-carbonitrile

1-methoxycycloheptane-1-carbonitrile (PubChem CID 15495961) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-methoxycycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-methoxycycloheptane-1-carbonitrile
PubChem CID15495961
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-methoxycycloheptane-1-carbonitrile
SMILESCOC1(C#N)CCCCCC1
InChIInChI=1S/C9H15NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-7H2,1H3
InChIKeyGELYVNWBNSIMOK-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxycycloheptane-1-carbonitrile 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-methoxycycloheptane-1-carbonitrile?
The IUPAC name of 1-methoxycycloheptane-1-carbonitrile (CID 15495961) is 1-methoxycycloheptane-1-carbonitrile.
What is the SMILES notation for 1-methoxycycloheptane-1-carbonitrile?
The canonical SMILES for 1-methoxycycloheptane-1-carbonitrile is COC1(C#N)CCCCCC1.
What is the InChIKey of 1-methoxycycloheptane-1-carbonitrile?
The InChIKey is GELYVNWBNSIMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-9(8-10)6-4-2-3-5-7-9/h2-7H2,1H3.
What are the key properties of 1-methoxycycloheptane-1-carbonitrile?
1-methoxycycloheptane-1-carbonitrile has a molecular weight of 153.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxycycloheptane-1-carbonitrile is sourced from PubChem (CID 15495961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).