(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile

C16H15N3O — CID 2390471

IUPAC(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/c1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C16H15N3O/c17-10-12(16(20)19-7-3-4-8-19)9-13-11-18-15-6-2-1-5-14(13)15/h1-2,5-6,9,11,18H,3-4,7-8H2/b12-9-
InChIKeyZPIHWBMFVOBODQ-XFXZXTDPSA-N
MW265.32 g/mol
LogP2.70
Rot. Bonds2

About (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile

(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile (PubChem CID 2390471) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
PubChem CID2390471
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/c1c[nH]c2ccccc12)C(=O)N1CCCC1
InChIInChI=1S/C16H15N3O/c17-10-12(16(20)19-7-3-4-8-19)9-13-11-18-15-6-2-1-5-14(13)15/h1-2,5-6,9,11,18H,3-4,7-8H2/b12-9-
InChIKeyZPIHWBMFVOBODQ-XFXZXTDPSA-N
XLogP2.70
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.70
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-(2-phenyl-1H-indol-3-yl)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 54613204
(Z)-3-(2-bromophenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2378185
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
3-phenyl-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 72978662
(Z)-2-(3,4-dihydroxybenzoyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 21159221
2-(piperidine-1-carbonyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 2803264
(E)-2-(azepane-1-carbonyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 19175799
(E)-3-(1H-indol-3-yl)-2-(2-methoxybenzoyl)prop-2-enenitrile
CID 9336304
(E)-3-(1-benzylindol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 126377432
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile (CID 2390471) is (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is N#C/C(=C/c1c[nH]c2ccccc12)C(=O)N1CCCC1.
What is the InChIKey of (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The InChIKey is ZPIHWBMFVOBODQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H15N3O/c17-10-12(16(20)19-7-3-4-8-19)9-13-11-18-15-6-2-1-5-14(13)15/h1-2,5-6,9,11,18H,3-4,7-8H2/b12-9-.
What are the key properties of (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile has a molecular weight of 265.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 2390471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).