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

C14H17N3O — CID 113465240

IUPAC5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H17N3O/c1-2-3-4-7-16-14(18)13-9-10-8-11(15)5-6-12(10)17-13/h2-3,5-6,8-9,17H,4,7,15H2,1H3,(H,16,18)/b3-2+
InChIKeyDDQQPWRFMOFBMS-NSCUHMNNSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds4

About 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide

5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide (PubChem CID 113465240) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
PubChem CID113465240
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H17N3O/c1-2-3-4-7-16-14(18)13-9-10-8-11(15)5-6-12(10)17-13/h2-3,5-6,8-9,17H,4,7,15H2,1H3,(H,16,18)/b3-2+
InChIKeyDDQQPWRFMOFBMS-NSCUHMNNSA-N
XLogP2.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-2-carboxamide
CID 63118430
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 106033368
5-amino-N-(2-methylbutyl)-1H-indole-2-carboxamide
CID 55179457
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-indole-2-carboxamide
CID 79351560
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
5-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indole-2-carboxamide
CID 106249434
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
CID 86759764

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide (CID 113465240) is 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide is C/C=C/CCNC(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The InChIKey is DDQQPWRFMOFBMS-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-4-7-16-14(18)13-9-10-8-11(15)5-6-12(10)17-13/h2-3,5-6,8-9,17H,4,7,15H2,1H3,(H,16,18)/b3-2+.
What are the key properties of 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 113465240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).