N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide

C17H24N2O2 — CID 86788732

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H24N2O2/c1-12(20)16-7-8-19(11-16)17(21)18-10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3,(H,18,21)
InChIKeyGVHLKBOBVLAQMY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 86788732) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID86788732
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H24N2O2/c1-12(20)16-7-8-19(11-16)17(21)18-10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3,(H,18,21)
InChIKeyGVHLKBOBVLAQMY-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
(3R)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777395
(3S)-N-[[2-(dimethylamino)-4-methylphenyl]methyl]-3-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99777392
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 100660405
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111509057
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
ethyl 1-[N-(2,3-dihydro-1H-inden-5-ylmethyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155540
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
(3R)-3-[(1S)-1-hydroxyethyl]-N-[[(2S)-1-propan-2-ylpiperidin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 99108800

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide (CID 86788732) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide is CC(O)C1CCN(C(=O)NCc2ccc3c(c2)CCC3)C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is GVHLKBOBVLAQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(20)16-7-8-19(11-16)17(21)18-10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3,(H,18,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86788732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).