1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde

C7H12N2O2 — CID 174438086

IUPAC1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde
SMILESC=CC(O)N1CCNC1C=O
InChIInChI=1S/C7H12N2O2/c1-2-7(11)9-4-3-8-6(9)5-10/h2,5-8,11H,1,3-4H2
InChIKeyXPBIAUFANFKNBC-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.08
Rot. Bonds3

About 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde

1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde (PubChem CID 174438086) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde
PubChem CID174438086
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde
SMILESC=CC(O)N1CCNC1C=O
InChIInChI=1S/C7H12N2O2/c1-2-7(11)9-4-3-8-6(9)5-10/h2,5-8,11H,1,3-4H2
InChIKeyXPBIAUFANFKNBC-UHFFFAOYSA-N
XLogP-1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde?
The IUPAC name of 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde (CID 174438086) is 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde.
What is the SMILES notation for 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde?
The canonical SMILES for 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde is C=CC(O)N1CCNC1C=O.
What is the InChIKey of 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde?
The InChIKey is XPBIAUFANFKNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-7(11)9-4-3-8-6(9)5-10/h2,5-8,11H,1,3-4H2.
What are the key properties of 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde?
1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde has a molecular weight of 156.19 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyprop-2-enyl)imidazolidine-2-carbaldehyde is sourced from PubChem (CID 174438086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).