1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

C19H24N2O3 — CID 166303347

IUPAC1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CNC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H24N2O3/c1-12(2)10-20-18(23)17-9-16(22)11-21(17)19(24)15-7-6-13-4-3-5-14(13)8-15/h6-8,16-17,22H,1,3-5,9-11H2,2H3,(H,20,23)
InChIKeyDSDHUMXATVCVIP-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.44
Rot. Bonds4

About 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 166303347) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
PubChem CID166303347
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
SMILESC=C(C)CNC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H24N2O3/c1-12(2)10-20-18(23)17-9-16(22)11-21(17)19(24)15-7-6-13-4-3-5-14(13)8-15/h6-8,16-17,22H,1,3-5,9-11H2,2H3,(H,20,23)
InChIKeyDSDHUMXATVCVIP-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 167910990
N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 167925608
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869
(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 167952092
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 61162121
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262411
(2S,4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844015
(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843359
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 71608949
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356772
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide (CID 166303347) is 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is C=C(C)CNC(=O)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is DSDHUMXATVCVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)10-20-18(23)17-9-16(22)11-21(17)19(24)15-7-6-13-4-3-5-14(13)8-15/h6-8,16-17,22H,1,3-5,9-11H2,2H3,(H,20,23).
What are the key properties of 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide?
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166303347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).