1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde

C10H16N2O — CID 174536024

IUPAC1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde
SMILESC=CCN1CCNC1(C=O)CC=C
InChIInChI=1S/C10H16N2O/c1-3-5-10(9-13)11-6-8-12(10)7-4-2/h3-4,9,11H,1-2,5-8H2
InChIKeyGHPWHRKNQBKRAO-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.55
Rot. Bonds5

About 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde

1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde (PubChem CID 174536024) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde
PubChem CID174536024
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde
SMILESC=CCN1CCNC1(C=O)CC=C
InChIInChI=1S/C10H16N2O/c1-3-5-10(9-13)11-6-8-12(10)7-4-2/h3-4,9,11H,1-2,5-8H2
InChIKeyGHPWHRKNQBKRAO-UHFFFAOYSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde?
The IUPAC name of 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde (CID 174536024) is 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde.
What is the SMILES notation for 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde?
The canonical SMILES for 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde is C=CCN1CCNC1(C=O)CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde?
The InChIKey is GHPWHRKNQBKRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-10(9-13)11-6-8-12(10)7-4-2/h3-4,9,11H,1-2,5-8H2.
What are the key properties of 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde?
1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)imidazolidine-2-carbaldehyde is sourced from PubChem (CID 174536024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).