(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile

C15H15NO — CID 2421211

IUPAC(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(\C#N)C2=CCCC2)cc1
InChIInChI=1S/C15H15NO/c1-17-15-8-6-12(7-9-15)10-14(11-16)13-4-2-3-5-13/h4,6-10H,2-3,5H2,1H3/b14-10+
InChIKeyQXYYDTBAGFKWGC-GXDHUFHOSA-N
MW225.29 g/mol
LogP3.71
Rot. Bonds3

About (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile

(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile (PubChem CID 2421211) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
PubChem CID2421211
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(\C#N)C2=CCCC2)cc1
InChIInChI=1S/C15H15NO/c1-17-15-8-6-12(7-9-15)10-14(11-16)13-4-2-3-5-13/h4,6-10H,2-3,5H2,1H3/b14-10+
InChIKeyQXYYDTBAGFKWGC-GXDHUFHOSA-N
XLogP3.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene
CID 162401411
1-[(E)-2-(4-methoxyphenyl)-1-nitroethenyl]cycloheptene
CID 10016123
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 124669632
(E)-3-(4-methoxyphenyl)-2-(1,3-thiazol-2-yl)prop-2-enenitrile
CID 39346516
(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 143449898
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene
CID 23508390
(E)-2-(dimethylamino)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 11816521
2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
CID 85101046

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile (CID 2421211) is (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile is COc1ccc(/C=C(\C#N)C2=CCCC2)cc1.
What is the InChIKey of (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
The InChIKey is QXYYDTBAGFKWGC-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H15NO/c1-17-15-8-6-12(7-9-15)10-14(11-16)13-4-2-3-5-13/h4,6-10H,2-3,5H2,1H3/b14-10+.
What are the key properties of (Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile?
(Z)-2-(cyclopenten-1-yl)-3-(4-methoxyphenyl)prop-2-enenitrile has a molecular weight of 225.29 g/mol, XLogP of 3.71, 3 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-(4-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 2421211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).