(3R)-3-ethenylpyrrolidin-2-one

C6H9NO — CID 143588464

IUPAC(3R)-3-ethenylpyrrolidin-2-one
SMILESC=C[C@H]1CCNC1=O
InChIInChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2,5H,1,3-4H2,(H,7,8)/t5-/m0/s1
InChIKeyPAWGAIPTLBIYRS-YFKPBYRVSA-N
MW111.14 g/mol
LogP0.31
Rot. Bonds1

About (3R)-3-ethenylpyrrolidin-2-one

(3R)-3-ethenylpyrrolidin-2-one (PubChem CID 143588464) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3R)-3-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-ethenylpyrrolidin-2-one
PubChem CID143588464
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3R)-3-ethenylpyrrolidin-2-one
SMILESC=C[C@H]1CCNC1=O
InChIInChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2,5H,1,3-4H2,(H,7,8)/t5-/m0/s1
InChIKeyPAWGAIPTLBIYRS-YFKPBYRVSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethenylpyrrolidin-2-one;icos-1-ene
CID 142741632
3-ethenylpyrrolidin-2-one;1-propan-2-ylidenepiperidin-1-ium;chloride
CID 174932057
3-ethenylazetidin-2-one
CID 13276908
3-(2-methylprop-1-enyl)pyrrolidin-2-one
CID 70521733
prop-2-enyl 2-oxopyrrolidine-3-carboxylate
CID 70598263
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
3-aminopyrrolidin-2-one
CID 158709416
(2-oxopyrrolidin-3-yl)azanium
CID 21337749
3-sulfanylpyrrolidin-2-one
CID 19797264
3-[(E)-prop-1-enyl]azepan-2-one
CID 153399753
(4aS,7S)-7-ethenyl-3,4,4a,5,6,7-hexahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
CID 174098221

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenylpyrrolidin-2-one?
The IUPAC name of (3R)-3-ethenylpyrrolidin-2-one (CID 143588464) is (3R)-3-ethenylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-ethenylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-ethenylpyrrolidin-2-one is C=C[C@H]1CCNC1=O.
What is the InChIKey of (3R)-3-ethenylpyrrolidin-2-one?
The InChIKey is PAWGAIPTLBIYRS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-5-3-4-7-6(5)8/h2,5H,1,3-4H2,(H,7,8)/t5-/m0/s1.
What are the key properties of (3R)-3-ethenylpyrrolidin-2-one?
(3R)-3-ethenylpyrrolidin-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenylpyrrolidin-2-one is sourced from PubChem (CID 143588464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).