(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile

C19H13ClN2O — CID 74766169

IUPAC(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
SMILESCc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1Cl
InChIInChI=1S/C19H13ClN2O/c1-12-18(15-7-3-5-9-17(15)22-12)19(23)14(11-21)10-13-6-2-4-8-16(13)20/h2-10,22H,1H3/b14-10-
InChIKeyJKLYUXWTCJQWQA-UVTDQMKNSA-N
MW320.78 g/mol
LogP4.92
Rot. Bonds3

About (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile

(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile (PubChem CID 74766169) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
PubChem CID74766169
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
SMILESCc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1Cl
InChIInChI=1S/C19H13ClN2O/c1-12-18(15-7-3-5-9-17(15)22-12)19(23)14(11-21)10-13-6-2-4-8-16(13)20/h2-10,22H,1H3/b14-10-
InChIKeyJKLYUXWTCJQWQA-UVTDQMKNSA-N
XLogP4.92
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.92
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

(E)-3-(3-ethoxy-2-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 6213625
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-naphthalen-2-ylprop-2-enenitrile
CID 7912469
(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
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 3902050
(E)-2-(2-methyl-1H-indole-3-carbonyl)-3-quinoxalin-2-ylprop-2-enenitrile
CID 9365660
3-(3-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4827524
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 7481269
3-(1,3-diphenylpyrazol-4-yl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 4257613
(E)-3-(4-butoxyphenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile
CID 7971389
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile (CID 74766169) is (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile is Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile?
The InChIKey is JKLYUXWTCJQWQA-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H13ClN2O/c1-12-18(15-7-3-5-9-17(15)22-12)19(23)14(11-21)10-13-6-2-4-8-16(13)20/h2-10,22H,1H3/b14-10-.
What are the key properties of (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile?
(Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile has a molecular weight of 320.78 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-2-(2-methyl-1H-indole-3-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 74766169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).