1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one

C8H14N2O — CID 13104228

IUPAC1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
SMILESC=CCN1C(=O)C(C)CN1C
InChIInChI=1S/C8H14N2O/c1-4-5-10-8(11)7(2)6-9(10)3/h4,7H,1,5-6H2,2-3H3
InChIKeyYKYLTMVWYMANCB-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.50
Rot. Bonds2

About 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one

1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one (PubChem CID 13104228) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one.

Molecular Properties

Compound Name1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
PubChem CID13104228
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one
SMILESC=CCN1C(=O)C(C)CN1C
InChIInChI=1S/C8H14N2O/c1-4-5-10-8(11)7(2)6-9(10)3/h4,7H,1,5-6H2,2-3H3
InChIKeyYKYLTMVWYMANCB-UHFFFAOYSA-N
XLogP0.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
(6R)-3-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169159
(3R)-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 129366009
3-butan-2-yl-1-prop-2-enyl-1,4-diazepane-2,5-dione
CID 64884724
(2S,5S)-5-methyl-1,2-bis(prop-2-enyl)pyrrolidin-3-one
CID 101173596
ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol
CID 143448351
(3S,6S)-1,3-dibenzyl-6-methyl-4-prop-2-enyl-1,4-diazepane-2,5-dione
CID 58982527
(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169161
1-but-3-enyl-5-methyl-1,3-diazinane-2,4-dione
CID 78176488
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
CID 101375506
5-amino-4-cycloheptyl-3-prop-2-enyl-4H-imidazol-2-one
CID 79966964

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one?
The IUPAC name of 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one (CID 13104228) is 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one.
What is the SMILES notation for 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one?
The canonical SMILES for 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one is C=CCN1C(=O)C(C)CN1C.
What is the InChIKey of 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one?
The InChIKey is YKYLTMVWYMANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-5-10-8(11)7(2)6-9(10)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one?
1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one has a molecular weight of 154.21 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-prop-2-enylpyrazolidin-3-one is sourced from PubChem (CID 13104228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).