2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide

C9H16N2O2 — CID 116674753

IUPAC2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide
SMILESCC(C(=O)NCCCO)=C1CNC1
InChIInChI=1S/C9H16N2O2/c1-7(8-5-10-6-8)9(13)11-3-2-4-12/h10,12H,2-6H2,1H3,(H,11,13)
InChIKeyQMPNYRYNSLXFBI-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.60
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide

2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide (PubChem CID 116674753) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide
PubChem CID116674753
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide
SMILESCC(C(=O)NCCCO)=C1CNC1
InChIInChI=1S/C9H16N2O2/c1-7(8-5-10-6-8)9(13)11-3-2-4-12/h10,12H,2-6H2,1H3,(H,11,13)
InChIKeyQMPNYRYNSLXFBI-UHFFFAOYSA-N
XLogP-0.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxypropyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide (CID 116674753) is 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide is CC(C(=O)NCCCO)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide?
The InChIKey is QMPNYRYNSLXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(8-5-10-6-8)9(13)11-3-2-4-12/h10,12H,2-6H2,1H3,(H,11,13).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-hydroxypropyl)propanamide has a molecular weight of 184.24 g/mol, XLogP of -0.60, 4 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-hydroxypropyl)propanamide is sourced from PubChem (CID 116674753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).