1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one

C10H18N2O — CID 135080777

IUPAC1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one
SMILESC=CCN1C(=O)N(C)C1CC(C)C
InChIInChI=1S/C10H18N2O/c1-5-6-12-9(7-8(2)3)11(4)10(12)13/h5,8-9H,1,6-7H2,2-4H3
InChIKeyPZHGOUAYECMCPK-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.91
Rot. Bonds4

About 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one

1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one (PubChem CID 135080777) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one
PubChem CID135080777
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one
SMILESC=CCN1C(=O)N(C)C1CC(C)C
InChIInChI=1S/C10H18N2O/c1-5-6-12-9(7-8(2)3)11(4)10(12)13/h5,8-9H,1,6-7H2,2-4H3
InChIKeyPZHGOUAYECMCPK-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
6-(2-methylpropyl)-3-propan-2-yl-1-prop-2-enylpiperazine-2,5-dione
CID 64872821
5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione
CID 101336077
3-ethyl-3-methyl-6-(2-methylpropyl)-1-prop-2-enylpiperazine-2,5-dione
CID 64886055
3a-methyl-1,3,4,6-tetrakis(prop-2-enyl)-6aH-imidazo[4,5-d]imidazole-2,5-dione
CID 122583244
(3aS,6aS)-4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 125479840
3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enyl-4,5-dihydropurine-2,6-dione
CID 78206148
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1,3-dimethyl-5-prop-2-enyl-1,3,5-triazinan-2-one
CID 101375506
[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 101115559
1-methyl-3,4-bis(prop-2-enyl)pyrrolidine-2,5-dione
CID 155096687
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one?
The IUPAC name of 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one (CID 135080777) is 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one.
What is the SMILES notation for 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one?
The canonical SMILES for 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one is C=CCN1C(=O)N(C)C1CC(C)C.
What is the InChIKey of 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one?
The InChIKey is PZHGOUAYECMCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-12-9(7-8(2)3)11(4)10(12)13/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one?
1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one is sourced from PubChem (CID 135080777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).