1,2-bis(ethenyl)imidazolidine-2-carbaldehyde

C8H12N2O — CID 174612694

IUPAC1,2-bis(ethenyl)imidazolidine-2-carbaldehyde
SMILESC=CN1CCNC1(C=C)C=O
InChIInChI=1S/C8H12N2O/c1-3-8(7-11)9-5-6-10(8)4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyIQQDAXOVHHBNOL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.12
Rot. Bonds3

About 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde

1,2-bis(ethenyl)imidazolidine-2-carbaldehyde (PubChem CID 174612694) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1,2-bis(ethenyl)imidazolidine-2-carbaldehyde
PubChem CID174612694
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,2-bis(ethenyl)imidazolidine-2-carbaldehyde
SMILESC=CN1CCNC1(C=C)C=O
InChIInChI=1S/C8H12N2O/c1-3-8(7-11)9-5-6-10(8)4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyIQQDAXOVHHBNOL-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(prop-2-enyl)imidazolidine-2-carbaldehyde
CID 174536024

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde?
The IUPAC name of 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde (CID 174612694) is 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde.
What is the SMILES notation for 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde?
The canonical SMILES for 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde is C=CN1CCNC1(C=C)C=O.
What is the InChIKey of 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde?
The InChIKey is IQQDAXOVHHBNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-8(7-11)9-5-6-10(8)4-2/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde?
1,2-bis(ethenyl)imidazolidine-2-carbaldehyde has a molecular weight of 152.20 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)imidazolidine-2-carbaldehyde is sourced from PubChem (CID 174612694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).