3-methyl-3-prop-2-enylpyrrolidin-2-one

C8H13NO — CID 123797687

IUPAC3-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1(C)CCNC1=O
InChIInChI=1S/C8H13NO/c1-3-4-8(2)5-6-9-7(8)10/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyYYQRZUSFZVRFMU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.09
Rot. Bonds2

About 3-methyl-3-prop-2-enylpyrrolidin-2-one

3-methyl-3-prop-2-enylpyrrolidin-2-one (PubChem CID 123797687) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enylpyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-3-prop-2-enylpyrrolidin-2-one
PubChem CID123797687
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-methyl-3-prop-2-enylpyrrolidin-2-one
SMILESC=CCC1(C)CCNC1=O
InChIInChI=1S/C8H13NO/c1-3-4-8(2)5-6-9-7(8)10/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyYYQRZUSFZVRFMU-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.09
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

4-Vinyl pyrrolidone
CID 12905136
3-Allylpyrrolidin-2-one
CID 13839124
1-Methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 86255489
(3S)-3-fluoro-3-prop-2-enylpyrrolidin-2-one
CID 89318243
3-Fluoro-3-prop-2-enylpyrrolidin-2-one
CID 124027856
2-Pyrrolidinone, 3-ethenyl-
CID 9942130
2-Pyrrolidinone, 3-(1-methylethenyl)-
CID 15744913
4-(But-3-enyl)pyrrolidin-2-one
CID 129860478
3-Azaspiro[4,4]-non-7-en-2-one
CID 163196966
(3R)-3-prop-2-enylpyrrolidin-2-one
CID 641537
(3S)-3-methyl-3-prop-2-enylpyrrolidine-2,5-dione
CID 10749386
3-Methyl-3-prop-2-enylpyrrolidine-2,5-dione
CID 13886849

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-prop-2-enylpyrrolidin-2-one?
The IUPAC name of 3-methyl-3-prop-2-enylpyrrolidin-2-one (CID 123797687) is 3-methyl-3-prop-2-enylpyrrolidin-2-one.
What is the SMILES notation for 3-methyl-3-prop-2-enylpyrrolidin-2-one?
The canonical SMILES for 3-methyl-3-prop-2-enylpyrrolidin-2-one is C=CCC1(C)CCNC1=O.
What is the InChIKey of 3-methyl-3-prop-2-enylpyrrolidin-2-one?
The InChIKey is YYQRZUSFZVRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-8(2)5-6-9-7(8)10/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of 3-methyl-3-prop-2-enylpyrrolidin-2-one?
3-methyl-3-prop-2-enylpyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 123797687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).