(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile

C24H23N3O2 — CID 10916023

IUPAC(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile
SMILESCn1cc(/C(C#N)=C(\CC(=O)c2ccccc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c1-26-17-21(19-9-5-6-10-22(19)26)20(16-25)23(27-11-13-29-14-12-27)15-24(28)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3/b23-20+
InChIKeyJIAVIBHHUGFRAC-BSYVCWPDSA-N
MW385.47 g/mol
LogP4.02
Rot. Bonds5

About (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile

(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile (PubChem CID 10916023) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile
PubChem CID10916023
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile
SMILESCn1cc(/C(C#N)=C(\CC(=O)c2ccccc2)N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c1-26-17-21(19-9-5-6-10-22(19)26)20(16-25)23(27-11-13-29-14-12-27)15-24(28)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3/b23-20+
InChIKeyJIAVIBHHUGFRAC-BSYVCWPDSA-N
XLogP4.02
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-methylindol-3-yl)-2,3-diphenylprop-2-enenitrile
CID 102432423
N-[(4-hydroxyoxan-4-yl)methyl]-1-methylindole-3-carboxamide
CID 79037076
2-[4-[(1-methylindole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214944
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
[3-(hydroxymethyl)oxetan-3-yl]-(1-methylindol-3-yl)methanone
CID 116922589
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carbonitrile
CID 11742248
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
(E)-3-morpholin-4-yl-3-phenylprop-2-enenitrile
CID 10846305

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile?
The IUPAC name of (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile (CID 10916023) is (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile?
The canonical SMILES for (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile is Cn1cc(/C(C#N)=C(\CC(=O)c2ccccc2)N2CCOCC2)c2ccccc21.
What is the InChIKey of (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile?
The InChIKey is JIAVIBHHUGFRAC-BSYVCWPDSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-26-17-21(19-9-5-6-10-22(19)26)20(16-25)23(27-11-13-29-14-12-27)15-24(28)18-7-3-2-4-8-18/h2-10,17H,11-15H2,1H3/b23-20+.
What are the key properties of (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile?
(Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile has a molecular weight of 385.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1-methylindol-3-yl)-3-morpholin-4-yl-5-oxo-5-phenylpent-2-enenitrile is sourced from PubChem (CID 10916023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).