4-imino-1,3-dimethylimidazolidin-2-one

C5H9N3O — CID 12571568

IUPAC4-imino-1,3-dimethylimidazolidin-2-one
SMILES[H]/N=C1\CN(C)C(=O)N1C
InChIInChI=1S/C5H9N3O/c1-7-3-4(6)8(2)5(7)9/h6H,3H2,1-2H3/b6-4+
InChIKeyHSGJWDKNQOLPLE-GQCTYLIASA-N
MW127.15 g/mol
LogP-0.04
Rot. Bonds

About 4-imino-1,3-dimethylimidazolidin-2-one

4-imino-1,3-dimethylimidazolidin-2-one (PubChem CID 12571568) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-imino-1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name4-imino-1,3-dimethylimidazolidin-2-one
PubChem CID12571568
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-imino-1,3-dimethylimidazolidin-2-one
SMILES[H]/N=C1\CN(C)C(=O)N1C
InChIInChI=1S/C5H9N3O/c1-7-3-4(6)8(2)5(7)9/h6H,3H2,1-2H3/b6-4+
InChIKeyHSGJWDKNQOLPLE-GQCTYLIASA-N
XLogP-0.04
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1,3-dimethylimidazolidin-2-one?
The IUPAC name of 4-imino-1,3-dimethylimidazolidin-2-one (CID 12571568) is 4-imino-1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for 4-imino-1,3-dimethylimidazolidin-2-one?
The canonical SMILES for 4-imino-1,3-dimethylimidazolidin-2-one is [H]/N=C1\CN(C)C(=O)N1C.
What is the InChIKey of 4-imino-1,3-dimethylimidazolidin-2-one?
The InChIKey is HSGJWDKNQOLPLE-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9N3O/c1-7-3-4(6)8(2)5(7)9/h6H,3H2,1-2H3/b6-4+.
What are the key properties of 4-imino-1,3-dimethylimidazolidin-2-one?
4-imino-1,3-dimethylimidazolidin-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.04, 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-dimethylimidazolidin-2-one is sourced from PubChem (CID 12571568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).