N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide

C14H16N2O — CID 115627991

IUPACN-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H16N2O/c1-2-3-6-9-15-14(17)13-10-11-7-4-5-8-12(11)16-13/h2-5,7-8,10,16H,6,9H2,1H3,(H,15,17)/b3-2+
InChIKeyPAQYIBGXAJJRAX-NSCUHMNNSA-N
MW228.30 g/mol
LogP2.86
Rot. Bonds4

About N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide

N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide (PubChem CID 115627991) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
PubChem CID115627991
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H16N2O/c1-2-3-6-9-15-14(17)13-10-11-7-4-5-8-12(11)16-13/h2-5,7-8,10,16H,6,9H2,1H3,(H,15,17)/b3-2+
InChIKeyPAQYIBGXAJJRAX-NSCUHMNNSA-N
XLogP2.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide (CID 115627991) is N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide is C/C=C/CCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The InChIKey is PAQYIBGXAJJRAX-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-3-6-9-15-14(17)13-10-11-7-4-5-8-12(11)16-13/h2-5,7-8,10,16H,6,9H2,1H3,(H,15,17)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 115627991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).