N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide

C14H18N2O — CID 114264870

IUPACN-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=CCCCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H18N2O/c1-2-3-6-9-15-14(17)13-10-11-7-4-5-8-12(11)16-13/h2,4-5,7-8,13,16H,1,3,6,9-10H2,(H,15,17)
InChIKeyNVRNRDSKOHIMKD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.11
Rot. Bonds5

About N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide

N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 114264870) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID114264870
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=CCCCNC(=O)C1Cc2ccccc2N1
InChIInChI=1S/C14H18N2O/c1-2-3-6-9-15-14(17)13-10-11-7-4-5-8-12(11)16-13/h2,4-5,7-8,13,16H,1,3,6,9-10H2,(H,15,17)
InChIKeyNVRNRDSKOHIMKD-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
(2S)-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63957351
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(3-ethoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148271
(2S)-N-(2-ethylsulfinylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 113494764
N-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76929615
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-[2-[ethyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76947537
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921

Frequently Asked Questions

What is the IUPAC name of N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide (CID 114264870) is N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide is C=CCCCNC(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NVRNRDSKOHIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-6-9-15-14(17)13-10-11-7-4-5-8-12(11)16-13/h2,4-5,7-8,13,16H,1,3,6,9-10H2,(H,15,17).
What are the key properties of N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide?
N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 114264870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).