2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide

C12H20N2O2 — CID 106134055

IUPAC2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCC(O)C1)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-8(10-6-13-7-10)12(16)14-5-9-2-3-11(15)4-9/h9,11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyORUBPMWVQXFBHN-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.18
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide

2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 106134055) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID106134055
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCC(O)C1)=C1CNC1
InChIInChI=1S/C12H20N2O2/c1-8(10-6-13-7-10)12(16)14-5-9-2-3-11(15)4-9/h9,11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyORUBPMWVQXFBHN-UHFFFAOYSA-N
XLogP0.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.18
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-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 106134055) is 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide is CC(C(=O)NCC1CCC(O)C1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is ORUBPMWVQXFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(10-6-13-7-10)12(16)14-5-9-2-3-11(15)4-9/h9,11,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of 2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.18, 3 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-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 106134055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).