(Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile

C16H17NO — CID 6211973

IUPAC(Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile
SMILESCCOc1ccccc1/C=C(\C#N)C1=CCCC1
InChIInChI=1S/C16H17NO/c1-2-18-16-10-6-5-9-14(16)11-15(12-17)13-7-3-4-8-13/h5-7,9-11H,2-4,8H2,1H3/b15-11+
InChIKeyGSKXSCVTCCDHLL-RVDMUPIBSA-N
MW239.32 g/mol
LogP4.10
Rot. Bonds4

About (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile

(Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile (PubChem CID 6211973) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile
PubChem CID6211973
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile
SMILESCCOc1ccccc1/C=C(\C#N)C1=CCCC1
InChIInChI=1S/C16H17NO/c1-2-18-16-10-6-5-9-14(16)11-15(12-17)13-7-3-4-8-13/h5-7,9-11H,2-4,8H2,1H3/b15-11+
InChIKeyGSKXSCVTCCDHLL-RVDMUPIBSA-N
XLogP4.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile 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 (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile (CID 6211973) is (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile is CCOc1ccccc1/C=C(\C#N)C1=CCCC1.
What is the InChIKey of (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile?
The InChIKey is GSKXSCVTCCDHLL-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-18-16-10-6-5-9-14(16)11-15(12-17)13-7-3-4-8-13/h5-7,9-11H,2-4,8H2,1H3/b15-11+.
What are the key properties of (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile?
(Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile has a molecular weight of 239.32 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(cyclopenten-1-yl)-3-(2-ethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 6211973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).