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

C8H15N3O — CID 21321871

IUPAC1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one
SMILESC=CCNCCN1CCNC1=O
InChIInChI=1S/C8H15N3O/c1-2-3-9-4-6-11-7-5-10-8(11)12/h2,9H,1,3-7H2,(H,10,12)
InChIKeyGCRWWEARDXVLIC-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.21
Rot. Bonds5

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

1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one (PubChem CID 21321871) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one
PubChem CID21321871
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one
SMILESC=CCNCCN1CCNC1=O
InChIInChI=1S/C8H15N3O/c1-2-3-9-4-6-11-7-5-10-8(11)12/h2,9H,1,3-7H2,(H,10,12)
InChIKeyGCRWWEARDXVLIC-UHFFFAOYSA-N
XLogP-0.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one (CID 21321871) is 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one is C=CCNCCN1CCNC1=O.
What is the InChIKey of 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one?
The InChIKey is GCRWWEARDXVLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-9-4-6-11-7-5-10-8(11)12/h2,9H,1,3-7H2,(H,10,12).
What are the key properties of 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one?
1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)ethyl]imidazolidin-2-one is sourced from PubChem (CID 21321871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).