(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile

C23H16N2O — CID 7912469

IUPAC(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile
SMILESCc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc2ccccc2c1
InChIInChI=1S/C23H16N2O/c1-15-22(20-8-4-5-9-21(20)25-15)23(26)19(14-24)13-16-10-11-17-6-2-3-7-18(17)12-16/h2-13,25H,1H3/b19-13+
InChIKeyVMUOAERZKZVKRG-CPNJWEJPSA-N
MW336.39 g/mol
LogP5.42
Rot. Bonds3

About (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile

(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile (PubChem CID 7912469) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile
PubChem CID7912469
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile
SMILESCc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc2ccccc2c1
InChIInChI=1S/C23H16N2O/c1-15-22(20-8-4-5-9-21(20)25-15)23(26)19(14-24)13-16-10-11-17-6-2-3-7-18(17)12-16/h2-13,25H,1H3/b19-13+
InChIKeyVMUOAERZKZVKRG-CPNJWEJPSA-N
XLogP5.42
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4827524
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 3902050
(E)-3-(4-butoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 7971389
[4-[2-cyano-3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 3370595
(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 7912468
3-(4-ethoxy-3-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4538642
(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 74766169
2-(2-methyl-1H-indole-3-carbonyl)-3-(3-methylthiophen-2-yl)prop-2-enenitrile
CID 3884796
(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-quinoxalin-2-ylprop-2-enenitrile
CID 9365660
(E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 6305184
3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 3279362
(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 9365656

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile?
The IUPAC name of (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile (CID 7912469) is (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile.
What is the SMILES notation for (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile?
The canonical SMILES for (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile is Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc2ccccc2c1.
What is the InChIKey of (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile?
The InChIKey is VMUOAERZKZVKRG-CPNJWEJPSA-N. The full InChI is InChI=1S/C23H16N2O/c1-15-22(20-8-4-5-9-21(20)25-15)23(26)19(14-24)13-16-10-11-17-6-2-3-7-18(17)12-16/h2-13,25H,1H3/b19-13+.
What are the key properties of (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile?
(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile has a molecular weight of 336.39 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-naphthalen-2-ylprop-2-enenitrile is sourced from PubChem (CID 7912469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).