(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide

C13H16N2O — CID 104864663

IUPAC(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=CC(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H16N2O/c1-3-9(2)14-13(16)12-8-10-6-4-5-7-11(10)15-12/h3-7,9,12,15H,1,8H2,2H3,(H,14,16)/t9?,12-/m0/s1
InChIKeyLVAZQTVTWLEZGR-ACGXKRRESA-N
MW216.28 g/mol
LogP1.71
Rot. Bonds3

About (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 104864663) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID104864663
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC=CC(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H16N2O/c1-3-9(2)14-13(16)12-8-10-6-4-5-7-11(10)15-12/h3-7,9,12,15H,1,8H2,2H3,(H,14,16)/t9?,12-/m0/s1
InChIKeyLVAZQTVTWLEZGR-ACGXKRRESA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2S)-N-[(1S)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81385786
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81353032
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201

Frequently Asked Questions

What is the IUPAC name of (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 104864663) is (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide is C=CC(C)NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is LVAZQTVTWLEZGR-ACGXKRRESA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9(2)14-13(16)12-8-10-6-4-5-7-11(10)15-12/h3-7,9,12,15H,1,8H2,2H3,(H,14,16)/t9?,12-/m0/s1.
What are the key properties of (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 104864663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).