N-(azetidin-3-yl)-2-methylpent-2-enamide

C9H16N2O — CID 77114451

IUPACN-(azetidin-3-yl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC1CNC1
InChIInChI=1S/C9H16N2O/c1-3-4-7(2)9(12)11-8-5-10-6-8/h4,8,10H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyWZZZRDGFNFSZFH-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.43
Rot. Bonds3

About N-(azetidin-3-yl)-2-methylpent-2-enamide

N-(azetidin-3-yl)-2-methylpent-2-enamide (PubChem CID 77114451) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-methylpent-2-enamide
PubChem CID77114451
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(azetidin-3-yl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NC1CNC1
InChIInChI=1S/C9H16N2O/c1-3-4-7(2)9(12)11-8-5-10-6-8/h4,8,10H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyWZZZRDGFNFSZFH-UHFFFAOYSA-N
XLogP0.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 N-(azetidin-3-yl)-2-methylpent-2-enamide?
The IUPAC name of N-(azetidin-3-yl)-2-methylpent-2-enamide (CID 77114451) is N-(azetidin-3-yl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-methylpent-2-enamide?
The canonical SMILES for N-(azetidin-3-yl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-methylpent-2-enamide?
The InChIKey is WZZZRDGFNFSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-4-7(2)9(12)11-8-5-10-6-8/h4,8,10H,3,5-6H2,1-2H3,(H,11,12).
What are the key properties of N-(azetidin-3-yl)-2-methylpent-2-enamide?
N-(azetidin-3-yl)-2-methylpent-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 77114451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).