2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide

C9H16N2O — CID 116674230

IUPAC2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide
SMILESCC(C(=O)NC(C)C)=C1CNC1
InChIInChI=1S/C9H16N2O/c1-6(2)11-9(12)7(3)8-4-10-5-8/h6,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyDUXLVJOPPGJXHJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds2

About 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide

2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide (PubChem CID 116674230) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide
PubChem CID116674230
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide
SMILESCC(C(=O)NC(C)C)=C1CNC1
InChIInChI=1S/C9H16N2O/c1-6(2)11-9(12)7(3)8-4-10-5-8/h6,10H,4-5H2,1-3H3,(H,11,12)
InChIKeyDUXLVJOPPGJXHJ-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
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 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide (CID 116674230) is 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide is CC(C(=O)NC(C)C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide?
The InChIKey is DUXLVJOPPGJXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)11-9(12)7(3)8-4-10-5-8/h6,10H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide?
2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-propan-2-ylpropanamide is sourced from PubChem (CID 116674230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).