2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

C17H24N2O — CID 115588889

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1ccc2c(c1)CCC2)C(=O)N1CCCC1
InChIInChI=1S/C17H24N2O/c1-13(17(20)19-9-2-3-10-19)18-12-14-7-8-15-5-4-6-16(15)11-14/h7-8,11,13,18H,2-6,9-10,12H2,1H3
InChIKeyGZVBAOVSDPMJRW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.28
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115588889) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115588889
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCc1ccc2c(c1)CCC2)C(=O)N1CCCC1
InChIInChI=1S/C17H24N2O/c1-13(17(20)19-9-2-3-10-19)18-12-14-7-8-15-5-4-6-16(15)11-14/h7-8,11,13,18H,2-6,9-10,12H2,1H3
InChIKeyGZVBAOVSDPMJRW-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 60930882
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115579711
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
2-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 60875208
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 115588889) is 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NCc1ccc2c(c1)CCC2)C(=O)N1CCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GZVBAOVSDPMJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(17(20)19-9-2-3-10-19)18-12-14-7-8-15-5-4-6-16(15)11-14/h7-8,11,13,18H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115588889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).