1-(3-methoxypropyl)cyclobutane-1-carbonitrile

C9H15NO — CID 65376205

IUPAC1-(3-methoxypropyl)cyclobutane-1-carbonitrile
SMILESCOCCCC1(C#N)CCC1
InChIInChI=1S/C9H15NO/c1-11-7-3-6-9(8-10)4-2-5-9/h2-7H2,1H3
InChIKeyLPFAMDARONDNMI-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.11
Rot. Bonds4

About 1-(3-methoxypropyl)cyclobutane-1-carbonitrile

1-(3-methoxypropyl)cyclobutane-1-carbonitrile (PubChem CID 65376205) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxypropyl)cyclobutane-1-carbonitrile
PubChem CID65376205
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(3-methoxypropyl)cyclobutane-1-carbonitrile
SMILESCOCCCC1(C#N)CCC1
InChIInChI=1S/C9H15NO/c1-11-7-3-6-9(8-10)4-2-5-9/h2-7H2,1H3
InChIKeyLPFAMDARONDNMI-UHFFFAOYSA-N
XLogP2.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-methoxypropyl)cyclobutane-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

Related Compounds

1-(4-methoxybutyl)cyclooctane-1-carbonitrile
CID 104650536
1-(3-methoxypropyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392157
1-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carbonitrile
CID 103415019
4-tert-butyl-1-(4-methoxybutyl)cyclohexane-1-carbonitrile
CID 104650527
1-(2-methoxyethyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 65390369
1-(4-methylpentyl)cyclobutane-1-carbonitrile
CID 83168144
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
CID 65379316
1-(3-methylsulfonylpropyl)cyclohexane-1-carbonitrile
CID 65378042
1-(3-methylsulfonylpropyl)cycloheptane-1-carbonitrile
CID 65391693
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
1-(2-ethoxyethyl)cycloheptane-1-carbonitrile
CID 65390901
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclohexane-1-carbonitrile
CID 104568465

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-methoxypropyl)cyclobutane-1-carbonitrile (CID 65376205) is 1-(3-methoxypropyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxypropyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxypropyl)cyclobutane-1-carbonitrile is COCCCC1(C#N)CCC1.
What is the InChIKey of 1-(3-methoxypropyl)cyclobutane-1-carbonitrile?
The InChIKey is LPFAMDARONDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-7-3-6-9(8-10)4-2-5-9/h2-7H2,1H3.
What are the key properties of 1-(3-methoxypropyl)cyclobutane-1-carbonitrile?
1-(3-methoxypropyl)cyclobutane-1-carbonitrile has a molecular weight of 153.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 65376205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).