1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one

C8H13N3O2 — CID 89191761

IUPAC1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one
SMILESC=CCNCC(=O)N1CCNC1=O
InChIInChI=1S/C8H13N3O2/c1-2-3-9-6-7(12)11-5-4-10-8(11)13/h2,9H,1,3-6H2,(H,10,13)
InChIKeyXUVFLXBMWXLINI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.69
Rot. Bonds4

About 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one

1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one (PubChem CID 89191761) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one
PubChem CID89191761
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one
SMILESC=CCNCC(=O)N1CCNC1=O
InChIInChI=1S/C8H13N3O2/c1-2-3-9-6-7(12)11-5-4-10-8(11)13/h2,9H,1,3-6H2,(H,10,13)
InChIKeyXUVFLXBMWXLINI-UHFFFAOYSA-N
XLogP-0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one (CID 89191761) is 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one is C=CCNCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one?
The InChIKey is XUVFLXBMWXLINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-9-6-7(12)11-5-4-10-8(11)13/h2,9H,1,3-6H2,(H,10,13).
What are the key properties of 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one?
1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)acetyl]imidazolidin-2-one is sourced from PubChem (CID 89191761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).