2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide

C11H20N2O — CID 116674218

IUPAC2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O/c1-5-11(3,4)13-10(14)8(2)9-6-12-7-9/h12H,5-7H2,1-4H3,(H,13,14)
InChIKeyARPMVUKVOFSRMK-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.21
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide

2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 116674218) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide
PubChem CID116674218
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H20N2O/c1-5-11(3,4)13-10(14)8(2)9-6-12-7-9/h12H,5-7H2,1-4H3,(H,13,14)
InChIKeyARPMVUKVOFSRMK-UHFFFAOYSA-N
XLogP1.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.21
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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Related Compounds

2-(azetidin-3-ylidene)-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106213267
4-(Ethylamino)-2,3-dimethylbut-2-enamide
CID 123883095
2-(azetidin-3-ylidene)-N-[3-(diethylamino)propyl]-N-ethylpropanamide
CID 102993089
2-(azetidin-3-ylidene)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103188657
2-(azetidin-3-ylidene)-N-(2,2-dimethylbutyl)propanamide
CID 103461443
2-(azetidin-3-ylidene)-N-[(1-methylcyclopropyl)methyl]propanamide
CID 105696220
2-(azetidin-3-ylidene)-N-(2-cyclopropylpropan-2-yl)propanamide
CID 105775771
2-(azetidin-3-ylidene)-N-[2-[ethyl(propyl)amino]ethyl]propanamide
CID 105968106
2-(azetidin-3-ylidene)-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047676
3-[2-(Azetidin-3-ylidene)propanoylamino]-3-methylbutanamide
CID 106096495
2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide
CID 106187300
2-(azetidin-3-ylidene)-N-pent-1-yn-3-ylpropanamide
CID 106230347

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide (CID 116674218) is 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is ARPMVUKVOFSRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(3,4)13-10(14)8(2)9-6-12-7-9/h12H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 196.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 116674218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).