(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one

C8H14N2O — CID 178194652

IUPAC(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1[C@H]1CCCN1
InChIInChI=1S/C8H14N2O/c11-8-6(3-5-10-8)7-2-1-4-9-7/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyHTAGWIOECRPDCR-NKWVEPMBSA-N
MW154.21 g/mol
LogP-0.13
Rot. Bonds1

About (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one

(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one (PubChem CID 178194652) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
PubChem CID178194652
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1NCC[C@H]1[C@H]1CCCN1
InChIInChI=1S/C8H14N2O/c11-8-6(3-5-10-8)7-2-1-4-9-7/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1
InChIKeyHTAGWIOECRPDCR-NKWVEPMBSA-N
XLogP-0.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
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(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
CID 66907470
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
2-pyrrolidin-2-ylcyclohexane-1,3-dione
CID 107430772
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(4aR,9aS)-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[3,2-b]azepin-6-one
CID 154878689
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
2-pyrrolidin-2-ylpiperidine
CID 14810994

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one (CID 178194652) is (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one is O=C1NCC[C@H]1[C@H]1CCCN1.
What is the InChIKey of (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one?
The InChIKey is HTAGWIOECRPDCR-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-6(3-5-10-8)7-2-1-4-9-7/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1.
What are the key properties of (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one?
(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 178194652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).