(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide

C14H16N2O — CID 104864201

IUPAC(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC#CCC(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N2O/c1-3-6-10(2)15-14(17)13-9-11-7-4-5-8-12(11)16-13/h1,4-5,7-8,10,13,16H,6,9H2,2H3,(H,15,17)/t10?,13-/m0/s1
InChIKeyQMYXPGDROVFMSY-HQVZTVAUSA-N
MW228.30 g/mol
LogP1.55
Rot. Bonds3

About (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 104864201) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID104864201
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
SMILESC#CCC(C)NC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N2O/c1-3-6-10(2)15-14(17)13-9-11-7-4-5-8-12(11)16-13/h1,4-5,7-8,10,13,16H,6,9H2,2H3,(H,15,17)/t10?,13-/m0/s1
InChIKeyQMYXPGDROVFMSY-HQVZTVAUSA-N
XLogP1.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113477452
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 63926506
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77044947
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006

Frequently Asked Questions

What is the IUPAC name of (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide (CID 104864201) is (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide is C#CCC(C)NC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is QMYXPGDROVFMSY-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-6-10(2)15-14(17)13-9-11-7-4-5-8-12(11)16-13/h1,4-5,7-8,10,13,16H,6,9H2,2H3,(H,15,17)/t10?,13-/m0/s1.
What are the key properties of (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 104864201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).