2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide

C13H22N2O — CID 104892374

IUPAC2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide
SMILESCC(C(=O)N[C@@H](C)C1CCCC1)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-9(12-7-14-8-12)13(16)15-10(2)11-5-3-4-6-11/h10-11,14H,3-8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyHLGQIJUMFSINTN-JTQLQIEISA-N
MW222.33 g/mol
LogP1.60
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide

2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide (PubChem CID 104892374) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide
PubChem CID104892374
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide
SMILESCC(C(=O)N[C@@H](C)C1CCCC1)=C1CNC1
InChIInChI=1S/C13H22N2O/c1-9(12-7-14-8-12)13(16)15-10(2)11-5-3-4-6-11/h10-11,14H,3-8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyHLGQIJUMFSINTN-JTQLQIEISA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.60
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-[(1S)-1-cyclopentylethyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide (CID 104892374) is 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide is CC(C(=O)N[C@@H](C)C1CCCC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide?
The InChIKey is HLGQIJUMFSINTN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(12-7-14-8-12)13(16)15-10(2)11-5-3-4-6-11/h10-11,14H,3-8H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide?
2-(azetidin-3-ylidene)-N-[(1S)-1-cyclopentylethyl]propanamide has a molecular weight of 222.33 g/mol, XLogP of 1.60, 3 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-[(1S)-1-cyclopentylethyl]propanamide is sourced from PubChem (CID 104892374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).