5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide

C17H18N2O2 — CID 142237615

IUPAC5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide
SMILESC=C/C=C(\C=C/C)CNC(=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C17H18N2O2/c1-3-5-12(6-4-2)11-18-17(21)16-10-13-9-14(20)7-8-15(13)19-16/h3-10,19-20H,1,11H2,2H3,(H,18,21)/b6-4-,12-5+
InChIKeyCUOIRPAHBNBLRP-GLNLJRCCSA-N
MW282.34 g/mol
LogP3.29
Rot. Bonds5

About 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide

5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide (PubChem CID 142237615) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide
PubChem CID142237615
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide
SMILESC=C/C=C(\C=C/C)CNC(=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C17H18N2O2/c1-3-5-12(6-4-2)11-18-17(21)16-10-13-9-14(20)7-8-15(13)19-16/h3-10,19-20H,1,11H2,2H3,(H,18,21)/b6-4-,12-5+
InChIKeyCUOIRPAHBNBLRP-GLNLJRCCSA-N
XLogP3.29
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5,6-dimethyl-N-penta-2,4-dien-2-yl-1H-indole-2-carboxamide
CID 123286993
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
(5-hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 11666441

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide (CID 142237615) is 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide is C=C/C=C(\C=C/C)CNC(=O)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide?
The InChIKey is CUOIRPAHBNBLRP-GLNLJRCCSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-5-12(6-4-2)11-18-17(21)16-10-13-9-14(20)7-8-15(13)19-16/h3-10,19-20H,1,11H2,2H3,(H,18,21)/b6-4-,12-5+.
What are the key properties of 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide?
5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 142237615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).