1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide

C7H12N2O2 — CID 67355503

IUPAC1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide
SMILESC=CC(O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H12N2O2/c1-2-6(10)9-3-5(4-9)7(8)11/h2,5-6,10H,1,3-4H2,(H2,8,11)
InChIKeyCPGRLVXMNQBFBH-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.09
Rot. Bonds3

About 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide

1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide (PubChem CID 67355503) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide
PubChem CID67355503
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide
SMILESC=CC(O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H12N2O2/c1-2-6(10)9-3-5(4-9)7(8)11/h2,5-6,10H,1,3-4H2,(H2,8,11)
InChIKeyCPGRLVXMNQBFBH-UHFFFAOYSA-N
XLogP-1.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)azetidine-3-carboxamide?
The IUPAC name of 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide (CID 67355503) is 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide?
The canonical SMILES for 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide is C=CC(O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide?
The InChIKey is CPGRLVXMNQBFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-6(10)9-3-5(4-9)7(8)11/h2,5-6,10H,1,3-4H2,(H2,8,11).
What are the key properties of 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide?
1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide has a molecular weight of 156.18 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyprop-2-enyl)azetidine-3-carboxamide is sourced from PubChem (CID 67355503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).