(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile

C19H15NS — CID 177385434

IUPAC(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESCc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C19H15NS/c1-13-9-18(14(2)21-13)11-19(12-20)17-8-7-15-5-3-4-6-16(15)10-17/h3-11H,1-2H3/b19-11+
InChIKeyKGZMRIGGNBPYFQ-YBFXNURJSA-N
MW289.40 g/mol
LogP5.58
Rot. Bonds2

About (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile

(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile (PubChem CID 177385434) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
PubChem CID177385434
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESCc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C19H15NS/c1-13-9-18(14(2)21-13)11-19(12-20)17-8-7-15-5-3-4-6-16(15)10-17/h3-11H,1-2H3/b19-11+
InChIKeyKGZMRIGGNBPYFQ-YBFXNURJSA-N
XLogP5.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.40
LogP ≤ 55.58
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

(Z)-3-(2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 118675612
3-(4,5-dimethoxy-2-methylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 4282383
3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 3602948
3-(2-methyl-4-piperidin-1-ylphenyl)-2-naphthalen-2-ylprop-2-enenitrile
CID 5095678
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
CID 3339582
(E)-3-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-naphthalen-2-ylprop-2-enenitrile
CID 124548514
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(E)-3-[4-[(2S)-butan-2-yl]oxyphenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 124550850
(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide
CID 727729
3-[1-(4-methoxyphenyl)pyrrol-2-yl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3604436
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile (CID 177385434) is (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile is Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)s1.
What is the InChIKey of (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
The InChIKey is KGZMRIGGNBPYFQ-YBFXNURJSA-N. The full InChI is InChI=1S/C19H15NS/c1-13-9-18(14(2)21-13)11-19(12-20)17-8-7-15-5-3-4-6-16(15)10-17/h3-11H,1-2H3/b19-11+.
What are the key properties of (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile has a molecular weight of 289.40 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile is sourced from PubChem (CID 177385434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).