2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide

C9H16N2O — CID 115739602

IUPAC2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
SMILESC=CC(C)NC(=O)CC1CNC1
InChIInChI=1S/C9H16N2O/c1-3-7(2)11-9(12)4-8-5-10-6-8/h3,7-8,10H,1,4-6H2,2H3,(H,11,12)
InChIKeyJVANDJNBSDFZCU-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.29
Rot. Bonds4

About 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide

2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide (PubChem CID 115739602) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
PubChem CID115739602
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide
SMILESC=CC(C)NC(=O)CC1CNC1
InChIInChI=1S/C9H16N2O/c1-3-7(2)11-9(12)4-8-5-10-6-8/h3,7-8,10H,1,4-6H2,2H3,(H,11,12)
InChIKeyJVANDJNBSDFZCU-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-propan-2-ylazetidin-3-yl)-2-prop-2-enylpent-4-enamide
CID 100685042
(3R,4R)-4-ethenyl-3-methylazetidin-2-one
CID 134897774
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
4-Ethenyl-3,3-dimethylazetidin-2-one
CID 14297019
2-methyl-N-propan-2-ylpent-4-enamide
CID 21313290
(2S)-N-[(E)-4-methylpent-2-enyl]azetidine-2-carboxamide
CID 59032696
3-methyl-2-methylidenebutanamide;N-propan-2-ylprop-2-enamide
CID 87850759
(2S)-N-(4-methylpent-2-enyl)azetidine-2-carboxamide
CID 91056472
N-butan-2-yl-2-propan-2-ylbut-3-enamide
CID 140656155
2-Methyl-1-[2-(methylaminomethyl)-3-methylideneazetidin-1-yl]propan-1-one
CID 142929503
(2S)-3-methyl-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxobut-3-en-2-yl]butanamide
CID 163635005
3-methyl-2-(methylamino)-N-pent-1-en-3-ylbutanamide
CID 174300207

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide (CID 115739602) is 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide is C=CC(C)NC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide?
The InChIKey is JVANDJNBSDFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-7(2)11-9(12)4-8-5-10-6-8/h3,7-8,10H,1,4-6H2,2H3,(H,11,12).
What are the key properties of 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide?
2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide has a molecular weight of 168.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-but-3-en-2-ylacetamide is sourced from PubChem (CID 115739602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).