(3R)-3-prop-2-enylpyrrolidin-2-one

C7H11NO — CID 641537

IUPAC(3R)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@H]1CCNC1=O
InChIInChI=1S/C7H11NO/c1-2-3-6-4-5-8-7(6)9/h2,6H,1,3-5H2,(H,8,9)/t6-/m1/s1
InChIKeyYBWPYDMSBIAVKQ-ZCFIWIBFSA-N
MW125.17 g/mol
LogP0.70
Rot. Bonds2

About (3R)-3-prop-2-enylpyrrolidin-2-one

(3R)-3-prop-2-enylpyrrolidin-2-one (PubChem CID 641537) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (3R)-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-prop-2-enylpyrrolidin-2-one
PubChem CID641537
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(3R)-3-prop-2-enylpyrrolidin-2-one
SMILESC=CC[C@@H]1CCNC1=O
InChIInChI=1S/C7H11NO/c1-2-3-6-4-5-8-7(6)9/h2,6H,1,3-5H2,(H,8,9)/t6-/m1/s1
InChIKeyYBWPYDMSBIAVKQ-ZCFIWIBFSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.70
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

5-Ethenyl-2-pyrrolidinone
CID 24150
5-Vinyl-2-pyrrolidinone, (S)-
CID 10197651
4-Vinyl pyrrolidone
CID 12905136
3-Allylpyrrolidin-2-one
CID 13839124
(R)-5-Vinylpyrrolidin-2-one
CID 13306713
(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one
CID 89318243
4-(2-Fluoroethenyl)pyrrolidin-2-one
CID 123923302
3-Fluoro-3-prop-2-enylpyrrolidin-2-one
CID 124027856
4-Ethenyl-3,3-difluoropyrrolidin-2-one
CID 152440861
4-(1-Fluoroethenyl)pyrrolidin-2-one
CID 174682071
2-Pyrrolidinone, 3-ethenyl-
CID 9942130
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193

Frequently Asked Questions

What is the IUPAC name of (3R)-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of (3R)-3-prop-2-enylpyrrolidin-2-one (CID 641537) is (3R)-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-prop-2-enylpyrrolidin-2-one is C=CC[C@@H]1CCNC1=O.
What is the InChIKey of (3R)-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is YBWPYDMSBIAVKQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-3-6-4-5-8-7(6)9/h2,6H,1,3-5H2,(H,8,9)/t6-/m1/s1.
What are the key properties of (3R)-3-prop-2-enylpyrrolidin-2-one?
(3R)-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 641537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).