4-imino-1,3-dimethyl-1,3-diazetidin-2-one

C4H7N3O — CID 163490125

IUPAC4-imino-1,3-dimethyl-1,3-diazetidin-2-one
SMILES[H]N=C1N(C)C(=O)N1C
InChIInChI=1S/C4H7N3O/c1-6-3(5)7(2)4(6)8/h5H,1-2H3
InChIKeyCLWPQLBSXPNVCJ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.08
Rot. Bonds

About 4-imino-1,3-dimethyl-1,3-diazetidin-2-one

4-imino-1,3-dimethyl-1,3-diazetidin-2-one (PubChem CID 163490125) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-imino-1,3-dimethyl-1,3-diazetidin-2-one.

Molecular Properties

Compound Name4-imino-1,3-dimethyl-1,3-diazetidin-2-one
PubChem CID163490125
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name4-imino-1,3-dimethyl-1,3-diazetidin-2-one
SMILES[H]N=C1N(C)C(=O)N1C
InChIInChI=1S/C4H7N3O/c1-6-3(5)7(2)4(6)8/h5H,1-2H3
InChIKeyCLWPQLBSXPNVCJ-UHFFFAOYSA-N
XLogP-0.08
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 13319083
5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 1201402
1,3-dimethyl-5-(2-methylpropylidene)-1,3-diazinane-2,4,6-trione
CID 16748543
5-ethylidene-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 20693559
1,3-dimethyl-5-nitroso-1,3-diazinane-2,4,6-trione
CID 23422721
1,3-dimethyl-4,6-dimethylidene-5-phosphanyl-1,3,5-triazinan-2-imine
CID 163825250
sodium;hydride;1,3,5-trimethyl-1,3-diazinane-2,4,6-trione
CID 173035286
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
5-ethenyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 59723669
7,9-dimethyl-7,9-diazatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaen-8-one
CID 91149332

Frequently Asked Questions

What is the IUPAC name of 4-imino-1,3-dimethyl-1,3-diazetidin-2-one?
The IUPAC name of 4-imino-1,3-dimethyl-1,3-diazetidin-2-one (CID 163490125) is 4-imino-1,3-dimethyl-1,3-diazetidin-2-one.
What is the SMILES notation for 4-imino-1,3-dimethyl-1,3-diazetidin-2-one?
The canonical SMILES for 4-imino-1,3-dimethyl-1,3-diazetidin-2-one is [H]N=C1N(C)C(=O)N1C.
What is the InChIKey of 4-imino-1,3-dimethyl-1,3-diazetidin-2-one?
The InChIKey is CLWPQLBSXPNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-6-3(5)7(2)4(6)8/h5H,1-2H3.
What are the key properties of 4-imino-1,3-dimethyl-1,3-diazetidin-2-one?
4-imino-1,3-dimethyl-1,3-diazetidin-2-one has a molecular weight of 113.12 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,3-dimethyl-1,3-diazetidin-2-one is sourced from PubChem (CID 163490125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).