5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one

C11H15N3O2 — CID 138391167

IUPAC5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C1(COC)C1CC1
InChIInChI=1S/C11H15N3O2/c1-3-6-14-10(15)13-9(12)11(14,7-16-2)8-4-5-8/h1,8H,4-7H2,2H3,(H2,12,13,15)
InChIKeyDCZBSQJDMARRJT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.42
Rot. Bonds4

About 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one

5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one (PubChem CID 138391167) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one
PubChem CID138391167
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC#C)C1(COC)C1CC1
InChIInChI=1S/C11H15N3O2/c1-3-6-14-10(15)13-9(12)11(14,7-16-2)8-4-5-8/h1,8H,4-7H2,2H3,(H2,12,13,15)
InChIKeyDCZBSQJDMARRJT-UHFFFAOYSA-N
XLogP0.42
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one?
The IUPAC name of 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one (CID 138391167) is 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one.
What is the SMILES notation for 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one?
The canonical SMILES for 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC#C)C1(COC)C1CC1.
What is the InChIKey of 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one?
The InChIKey is DCZBSQJDMARRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-6-14-10(15)13-9(12)11(14,7-16-2)8-4-5-8/h1,8H,4-7H2,2H3,(H2,12,13,15).
What are the key properties of 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one?
5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-imino-5-(methoxymethyl)-1-prop-2-ynylimidazolidin-2-one is sourced from PubChem (CID 138391167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).