1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one

C9H15N3O — CID 70457522

IUPAC1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(CC(=C)N)C1=O
InChIInChI=1S/C9H15N3O/c1-3-4-11-5-6-12(9(11)13)7-8(2)10/h3H,1-2,4-7,10H2
InChIKeyJQKAPACTTIDVRI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.38
Rot. Bonds4

About 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one

1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one (PubChem CID 70457522) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
PubChem CID70457522
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(CC(=C)N)C1=O
InChIInChI=1S/C9H15N3O/c1-3-4-11-5-6-12(9(11)13)7-8(2)10/h3H,1-2,4-7,10H2
InChIKeyJQKAPACTTIDVRI-UHFFFAOYSA-N
XLogP0.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one (CID 70457522) is 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one is C=CCN1CCN(CC(=C)N)C1=O.
What is the InChIKey of 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
The InChIKey is JQKAPACTTIDVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-11-5-6-12(9(11)13)7-8(2)10/h3H,1-2,4-7,10H2.
What are the key properties of 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one?
1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoprop-2-enyl)-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 70457522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).