1-hydroxy-N-prop-2-enylazetidine-3-carboxamide

C7H12N2O2 — CID 67355505

IUPAC1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(O)C1
InChIInChI=1S/C7H12N2O2/c1-2-3-8-7(10)6-4-9(11)5-6/h2,6,11H,1,3-5H2,(H,8,10)
InChIKeyAGNHOAQTSJTWOL-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.39
Rot. Bonds3

About 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide

1-hydroxy-N-prop-2-enylazetidine-3-carboxamide (PubChem CID 67355505) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
PubChem CID67355505
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
SMILESC=CCNC(=O)C1CN(O)C1
InChIInChI=1S/C7H12N2O2/c1-2-3-8-7(10)6-4-9(11)5-6/h2,6,11H,1,3-5H2,(H,8,10)
InChIKeyAGNHOAQTSJTWOL-UHFFFAOYSA-N
XLogP-0.39
TPSA52.57 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 ≤ 5-0.39
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-hydroxy-N-prop-2-enylazetidine-3-carboxamide?
The IUPAC name of 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide (CID 67355505) is 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide?
The canonical SMILES for 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide is C=CCNC(=O)C1CN(O)C1.
What is the InChIKey of 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide?
The InChIKey is AGNHOAQTSJTWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-8-7(10)6-4-9(11)5-6/h2,6,11H,1,3-5H2,(H,8,10).
What are the key properties of 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide?
1-hydroxy-N-prop-2-enylazetidine-3-carboxamide has a molecular weight of 156.18 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-prop-2-enylazetidine-3-carboxamide is sourced from PubChem (CID 67355505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).