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

C7H12N2O2 — CID 175054973

IUPACN-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide
SMILESO=C(NCC=CO)C1CNC1
InChIInChI=1S/C7H12N2O2/c10-3-1-2-9-7(11)6-4-8-5-6/h1,3,6,8,10H,2,4-5H2,(H,9,11)
InChIKeyYXERZNUIBQLQAA-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.61
Rot. Bonds3

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

N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide (PubChem CID 175054973) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide
PubChem CID175054973
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide
SMILESO=C(NCC=CO)C1CNC1
InChIInChI=1S/C7H12N2O2/c10-3-1-2-9-7(11)6-4-8-5-6/h1,3,6,8,10H,2,4-5H2,(H,9,11)
InChIKeyYXERZNUIBQLQAA-UHFFFAOYSA-N
XLogP-0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide?
The IUPAC name of N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide (CID 175054973) is N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide is O=C(NCC=CO)C1CNC1.
What is the InChIKey of N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide?
The InChIKey is YXERZNUIBQLQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-3-1-2-9-7(11)6-4-8-5-6/h1,3,6,8,10H,2,4-5H2,(H,9,11).
What are the key properties of N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide?
N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyprop-2-enyl)azetidine-3-carboxamide is sourced from PubChem (CID 175054973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).