(2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile

C19H19NO — CID 56925835

IUPAC(2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile
SMILESCOc1cccc(CCC/C(C#N)=C/c2ccccc2)c1
InChIInChI=1S/C19H19NO/c1-21-19-12-6-10-17(14-19)9-5-11-18(15-20)13-16-7-3-2-4-8-16/h2-4,6-8,10,12-14H,5,9,11H2,1H3/b18-13-
InChIKeyZGKIKEVUWPPPTH-AQTBWJFISA-N
MW277.37 g/mol
LogP4.63
Rot. Bonds6

About (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile

(2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile (PubChem CID 56925835) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile.

Molecular Properties

Compound Name(2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile
PubChem CID56925835
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name(2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile
SMILESCOc1cccc(CCC/C(C#N)=C/c2ccccc2)c1
InChIInChI=1S/C19H19NO/c1-21-19-12-6-10-17(14-19)9-5-11-18(15-20)13-16-7-3-2-4-8-16/h2-4,6-8,10,12-14H,5,9,11H2,1H3/b18-13-
InChIKeyZGKIKEVUWPPPTH-AQTBWJFISA-N
XLogP4.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.63
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

5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
[1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
CID 68525614
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
CID 68525612
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
4-(3-methoxyphenyl)butanal
CID 10821200
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile?
The IUPAC name of (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile (CID 56925835) is (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile.
What is the SMILES notation for (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile?
The canonical SMILES for (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile is COc1cccc(CCC/C(C#N)=C/c2ccccc2)c1.
What is the InChIKey of (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile?
The InChIKey is ZGKIKEVUWPPPTH-AQTBWJFISA-N. The full InChI is InChI=1S/C19H19NO/c1-21-19-12-6-10-17(14-19)9-5-11-18(15-20)13-16-7-3-2-4-8-16/h2-4,6-8,10,12-14H,5,9,11H2,1H3/b18-13-.
What are the key properties of (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile?
(2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile has a molecular weight of 277.37 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-5-(3-methoxyphenyl)pentanenitrile is sourced from PubChem (CID 56925835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).