1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one

C14H16N2O — CID 102819783

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1C[C@@H]1CCCN1
InChIInChI=1S/C14H16N2O/c17-14-8-7-11-4-1-2-6-13(11)16(14)10-12-5-3-9-15-12/h1-2,4,6-8,12,15H,3,5,9-10H2/t12-/m0/s1
InChIKeyIWPSSHKUVBNCBW-LBPRGKRZSA-N
MW228.30 g/mol
LogP1.75
Rot. Bonds2

About 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one

1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one (PubChem CID 102819783) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
PubChem CID102819783
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1C[C@@H]1CCCN1
InChIInChI=1S/C14H16N2O/c17-14-8-7-11-4-1-2-6-13(11)16(14)10-12-5-3-9-15-12/h1-2,4,6-8,12,15H,3,5,9-10H2/t12-/m0/s1
InChIKeyIWPSSHKUVBNCBW-LBPRGKRZSA-N
XLogP1.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
1-[[(2R)-pyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 95386384
1-ethylquinolin-2-one;hydrochloride
CID 141095108
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63640680
3-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208817
N-[1-(pyrrolidin-2-ylmethyl)benzimidazol-2-yl]pyridine-3-carboxamide
CID 90045404
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
3-(benzenesulfonyl)-4-fluoro-2-methyl-1-(pyrrolidin-2-ylmethyl)indole
CID 141143392
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 102819817
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one (CID 102819783) is 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one is O=c1ccc2ccccc2n1C[C@@H]1CCCN1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one?
The InChIKey is IWPSSHKUVBNCBW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-8-7-11-4-1-2-6-13(11)16(14)10-12-5-3-9-15-12/h1-2,4,6-8,12,15H,3,5,9-10H2/t12-/m0/s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one?
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one has a molecular weight of 228.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one is sourced from PubChem (CID 102819783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).