1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile

C10H17NO — CID 80698814

IUPAC1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile
SMILESCCOC1(C#N)CCC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-12-10(8-11)6-5-9(2,3)7-10/h4-7H2,1-3H3
InChIKeyDPYVORWRNSECPH-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.50
Rot. Bonds2

About 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile

1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile (PubChem CID 80698814) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile
PubChem CID80698814
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile
SMILESCCOC1(C#N)CCC(C)(C)C1
InChIInChI=1S/C10H17NO/c1-4-12-10(8-11)6-5-9(2,3)7-10/h4-7H2,1-3H3
InChIKeyDPYVORWRNSECPH-UHFFFAOYSA-N
XLogP2.50
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-3,3-dimethylcyclopentane-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-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile?
The IUPAC name of 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile (CID 80698814) is 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile is CCOC1(C#N)CCC(C)(C)C1.
What is the InChIKey of 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile?
The InChIKey is DPYVORWRNSECPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-12-10(8-11)6-5-9(2,3)7-10/h4-7H2,1-3H3.
What are the key properties of 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile?
1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-dimethylcyclopentane-1-carbonitrile is sourced from PubChem (CID 80698814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).