1-[(E)-but-2-enoyl]azetidine-2-carboxamide

C8H12N2O2 — CID 155819331

IUPAC1-[(E)-but-2-enoyl]azetidine-2-carboxamide
SMILESC/C=C/C(=O)N1CCC1C(N)=O
InChIInChI=1S/C8H12N2O2/c1-2-3-7(11)10-5-4-6(10)8(9)12/h2-3,6H,4-5H2,1H3,(H2,9,12)/b3-2+
InChIKeyXAKSGWSGHSSQPM-NSCUHMNNSA-N
MW168.20 g/mol
LogP-0.35
Rot. Bonds2

About 1-[(E)-but-2-enoyl]azetidine-2-carboxamide

1-[(E)-but-2-enoyl]azetidine-2-carboxamide (PubChem CID 155819331) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[(E)-but-2-enoyl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-but-2-enoyl]azetidine-2-carboxamide
PubChem CID155819331
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-[(E)-but-2-enoyl]azetidine-2-carboxamide
SMILESC/C=C/C(=O)N1CCC1C(N)=O
InChIInChI=1S/C8H12N2O2/c1-2-3-7(11)10-5-4-6(10)8(9)12/h2-3,6H,4-5H2,1H3,(H2,9,12)/b3-2+
InChIKeyXAKSGWSGHSSQPM-NSCUHMNNSA-N
XLogP-0.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoyl]azetidine-2-carboxamide?
The IUPAC name of 1-[(E)-but-2-enoyl]azetidine-2-carboxamide (CID 155819331) is 1-[(E)-but-2-enoyl]azetidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-but-2-enoyl]azetidine-2-carboxamide?
The canonical SMILES for 1-[(E)-but-2-enoyl]azetidine-2-carboxamide is C/C=C/C(=O)N1CCC1C(N)=O.
What is the InChIKey of 1-[(E)-but-2-enoyl]azetidine-2-carboxamide?
The InChIKey is XAKSGWSGHSSQPM-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-7(11)10-5-4-6(10)8(9)12/h2-3,6H,4-5H2,1H3,(H2,9,12)/b3-2+.
What are the key properties of 1-[(E)-but-2-enoyl]azetidine-2-carboxamide?
1-[(E)-but-2-enoyl]azetidine-2-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoyl]azetidine-2-carboxamide is sourced from PubChem (CID 155819331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).