5-cyclobutyl-4-imino-1-propylimidazolidin-2-one

C10H17N3O — CID 138391173

IUPAC5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1C1CCC1
InChIInChI=1S/C10H17N3O/c1-2-6-13-8(7-4-3-5-7)9(11)12-10(13)14/h7-8H,2-6H2,1H3,(H2,11,12,14)
InChIKeyYVTCNZCHQOFDPK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.57
Rot. Bonds3

About 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one

5-cyclobutyl-4-imino-1-propylimidazolidin-2-one (PubChem CID 138391173) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one.

Molecular Properties

Compound Name5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
PubChem CID138391173
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-cyclobutyl-4-imino-1-propylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C1C1CCC1
InChIInChI=1S/C10H17N3O/c1-2-6-13-8(7-4-3-5-7)9(11)12-10(13)14/h7-8H,2-6H2,1H3,(H2,11,12,14)
InChIKeyYVTCNZCHQOFDPK-UHFFFAOYSA-N
XLogP1.57
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.57
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 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one?
The IUPAC name of 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one (CID 138391173) is 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one.
What is the SMILES notation for 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one?
The canonical SMILES for 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CCC)C1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one?
The InChIKey is YVTCNZCHQOFDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-6-13-8(7-4-3-5-7)9(11)12-10(13)14/h7-8H,2-6H2,1H3,(H2,11,12,14).
What are the key properties of 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one?
5-cyclobutyl-4-imino-1-propylimidazolidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-imino-1-propylimidazolidin-2-one is sourced from PubChem (CID 138391173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).