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

C12H20N2O2 — CID 107221521

IUPAC2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESCC(C(=O)N[C@H]1CCCC[C@@H]1O)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-8(9-6-13-7-9)12(16)14-10-4-2-3-5-11(10)15/h10-11,13,15H,2-7H2,1H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyZPMBGHDGJOVNFM-QWRGUYRKSA-N
MW224.30 g/mol
LogP0.33
Rot. Bonds2

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

2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (PubChem CID 107221521) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
PubChem CID107221521
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESCC(C(=O)N[C@H]1CCCC[C@@H]1O)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-8(9-6-13-7-9)12(16)14-10-4-2-3-5-11(10)15/h10-11,13,15H,2-7H2,1H3,(H,14,16)/t10-,11-/m0/s1
InChIKeyZPMBGHDGJOVNFM-QWRGUYRKSA-N
XLogP0.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,2S)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (CID 107221521) is 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is CC(C(=O)N[C@H]1CCCC[C@@H]1O)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The InChIKey is ZPMBGHDGJOVNFM-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(9-6-13-7-9)12(16)14-10-4-2-3-5-11(10)15/h10-11,13,15H,2-7H2,1H3,(H,14,16)/t10-,11-/m0/s1.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 107221521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).