2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide

C11H18N2O — CID 106187300

IUPAC2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H18N2O/c1-8(2)4-5-13-11(14)9(3)10-6-12-7-10/h4,12H,5-7H2,1-3H3,(H,13,14)
InChIKeyHTYKYMCKRLWIJT-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide

2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide (PubChem CID 106187300) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide
PubChem CID106187300
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C11H18N2O/c1-8(2)4-5-13-11(14)9(3)10-6-12-7-10/h4,12H,5-7H2,1-3H3,(H,13,14)
InChIKeyHTYKYMCKRLWIJT-UHFFFAOYSA-N
XLogP0.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
(E)-2-methyl-N-[4-[3-[[(E)-2-methylbut-2-enoyl]amino]propylamino]butyl]but-2-enamide
CID 11666725
2-methyl-N-[4-[3-(2-methylbut-2-enoylamino)propylamino]butyl]but-2-enamide
CID 73047750
N-(2-methylpropyl)-2-methylbutenamide
CID 76526197
(E)-N-butyl-2-methylbut-2-enamide
CID 14316393
N-(3-aminopropyl)-N,2-dimethylbut-2-enamide
CID 53806406
Tigloylputrescine
CID 129856314
N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide
CID 123865728
(Z)-N-butyl-2-methylbut-2-enamide
CID 133681545
2-(azetidin-3-ylidene)-N-(3,3,3-trifluoropropyl)propanamide
CID 116677845
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propanamide
CID 116678637
But-2-enoic acid, amide, 3-methyl-N-methallyl-
CID 12352786

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide (CID 106187300) is 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide is CC(C)=CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide?
The InChIKey is HTYKYMCKRLWIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)4-5-13-11(14)9(3)10-6-12-7-10/h4,12H,5-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide?
2-(azetidin-3-ylidene)-N-(3-methylbut-2-enyl)propanamide has a molecular weight of 194.28 g/mol, XLogP of 0.99, 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-(3-methylbut-2-enyl)propanamide is sourced from PubChem (CID 106187300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).