4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one

C9H16N2O — CID 163507233

IUPAC4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(C[C@@H]2CCCN2)CN1
InChIInChI=1S/C9H16N2O/c12-9-5-7(6-11-9)4-8-2-1-3-10-8/h7-8,10H,1-6H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyCZOFDONSOMTWBR-MQWKRIRWSA-N
MW168.24 g/mol
LogP0.26
Rot. Bonds2

About 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one

4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one (PubChem CID 163507233) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one
PubChem CID163507233
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(C[C@@H]2CCCN2)CN1
InChIInChI=1S/C9H16N2O/c12-9-5-7(6-11-9)4-8-2-1-3-10-8/h7-8,10H,1-6H2,(H,11,12)/t7?,8-/m0/s1
InChIKeyCZOFDONSOMTWBR-MQWKRIRWSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-(thietan-3-ylmethyl)pyrrolidine
CID 83905279
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
2-(cycloheptylmethyl)piperidine
CID 79006754
N-(6-oxopiperidin-3-yl)-2-pyrrolidin-2-ylacetamide
CID 63660873
N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611873
sodium;4-(aminomethyl)pyrrolidin-2-one;hydride
CID 173198416
2-(thiolan-3-ylmethyl)pyrrolidine
CID 82653355
1-methyl-3-(pyrrolidin-2-ylmethyl)pyrrolidin-2-one
CID 142209775
(4R)-4-(piperidin-4-yloxymethyl)pyrrolidin-2-one
CID 124680769

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one (CID 163507233) is 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one is O=C1CC(C[C@@H]2CCCN2)CN1.
What is the InChIKey of 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is CZOFDONSOMTWBR-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9-5-7(6-11-9)4-8-2-1-3-10-8/h7-8,10H,1-6H2,(H,11,12)/t7?,8-/m0/s1.
What are the key properties of 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one?
4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 163507233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).