(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile

C18H19NOS — CID 177492500

IUPAC(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccc(CC(C)C)s2)cc1
InChIInChI=1S/C18H19NOS/c1-13(2)10-17-8-9-18(21-17)11-15(12-19)14-4-6-16(20-3)7-5-14/h4-9,11,13H,10H2,1-3H3/b15-11+
InChIKeyNXEHYUOYONVIBS-RVDMUPIBSA-N
MW297.42 g/mol
LogP5.02
Rot. Bonds5

About (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile

(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile (PubChem CID 177492500) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile
PubChem CID177492500
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccc(CC(C)C)s2)cc1
InChIInChI=1S/C18H19NOS/c1-13(2)10-17-8-9-18(21-17)11-15(12-19)14-4-6-16(20-3)7-5-14/h4-9,11,13H,10H2,1-3H3/b15-11+
InChIKeyNXEHYUOYONVIBS-RVDMUPIBSA-N
XLogP5.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-methoxyphenyl)-4-methylhex-2-enenitrile
CID 129095571
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
(E)-3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 22302618
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
(Z)-2-(4-bromophenyl)-3-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]prop-2-enenitrile
CID 50857608
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
(Z)-3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954957
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 124669632
(Z)-3-(3,4-dihydropyridin-6-yl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 143449898
diethyl 2-[[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]amino]propanedioate
CID 101342097
(E)-3-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374798

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile (CID 177492500) is (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile is COc1ccc(/C(C#N)=C/c2ccc(CC(C)C)s2)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile?
The InChIKey is NXEHYUOYONVIBS-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13(2)10-17-8-9-18(21-17)11-15(12-19)14-4-6-16(20-3)7-5-14/h4-9,11,13H,10H2,1-3H3/b15-11+.
What are the key properties of (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile?
(Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile has a molecular weight of 297.42 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-3-[5-(2-methylpropyl)thiophen-2-yl]prop-2-enenitrile is sourced from PubChem (CID 177492500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).