1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one

C9H15N3O — CID 138391112

IUPAC1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1(C)C
InChIInChI=1S/C9H15N3O/c1-9(2)7(10)11-8(13)12(9)5-6-3-4-6/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyOLXDYGYJDDACTJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.18
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one

1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one (PubChem CID 138391112) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
PubChem CID138391112
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1(C)C
InChIInChI=1S/C9H15N3O/c1-9(2)7(10)11-8(13)12(9)5-6-3-4-6/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyOLXDYGYJDDACTJ-UHFFFAOYSA-N
XLogP1.18
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
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 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one (CID 138391112) is 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C1(C)C.
What is the InChIKey of 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one?
The InChIKey is OLXDYGYJDDACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2)7(10)11-8(13)12(9)5-6-3-4-6/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one?
1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 138391112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).