N-pent-4-en-2-yl-1H-indole-5-carboxamide

C14H16N2O — CID 113237404

IUPACN-pent-4-en-2-yl-1H-indole-5-carboxamide
SMILESC=CCC(C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O/c1-3-4-10(2)16-14(17)12-5-6-13-11(9-12)7-8-15-13/h3,5-10,15H,1,4H2,2H3,(H,16,17)
InChIKeyZZFBDAJVVZYJBV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.86
Rot. Bonds4

About N-pent-4-en-2-yl-1H-indole-5-carboxamide

N-pent-4-en-2-yl-1H-indole-5-carboxamide (PubChem CID 113237404) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-pent-4-en-2-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-pent-4-en-2-yl-1H-indole-5-carboxamide
PubChem CID113237404
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-pent-4-en-2-yl-1H-indole-5-carboxamide
SMILESC=CCC(C)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O/c1-3-4-10(2)16-14(17)12-5-6-13-11(9-12)7-8-15-13/h3,5-10,15H,1,4H2,2H3,(H,16,17)
InChIKeyZZFBDAJVVZYJBV-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
(2S,3R)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381849
methyl (2R)-2-(1H-indole-5-carbonylamino)propanoate
CID 71918006
(2R,3S)-3-(1H-indole-5-carbonylamino)-2-methylbutanoic acid
CID 129381852
N-(4-methoxybutan-2-yl)-1H-indole-6-carboxamide
CID 62640630
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
(2S)-2-(1H-indole-5-carbonylamino)-4-methylpentanoate
CID 7095205
3-hydroxy-4-methyl-N-pent-4-en-2-ylbenzamide
CID 115993829
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-yl-1H-indole-5-carboxamide?
The IUPAC name of N-pent-4-en-2-yl-1H-indole-5-carboxamide (CID 113237404) is N-pent-4-en-2-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N-pent-4-en-2-yl-1H-indole-5-carboxamide?
The canonical SMILES for N-pent-4-en-2-yl-1H-indole-5-carboxamide is C=CCC(C)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-pent-4-en-2-yl-1H-indole-5-carboxamide?
The InChIKey is ZZFBDAJVVZYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-4-10(2)16-14(17)12-5-6-13-11(9-12)7-8-15-13/h3,5-10,15H,1,4H2,2H3,(H,16,17).
What are the key properties of N-pent-4-en-2-yl-1H-indole-5-carboxamide?
N-pent-4-en-2-yl-1H-indole-5-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-pent-4-en-2-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 113237404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).