(E)-N-(2-methylcyclobutyl)but-2-enamide

C9H15NO — CID 130555765

IUPAC(E)-N-(2-methylcyclobutyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCC1C
InChIInChI=1S/C9H15NO/c1-3-4-9(11)10-8-6-5-7(8)2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+
InChIKeyWCOBMYSLFLPCOY-ONEGZZNKSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About (E)-N-(2-methylcyclobutyl)but-2-enamide

(E)-N-(2-methylcyclobutyl)but-2-enamide (PubChem CID 130555765) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-N-(2-methylcyclobutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylcyclobutyl)but-2-enamide
PubChem CID130555765
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-N-(2-methylcyclobutyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCC1C
InChIInChI=1S/C9H15NO/c1-3-4-9(11)10-8-6-5-7(8)2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+
InChIKeyWCOBMYSLFLPCOY-ONEGZZNKSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-methylsulfanylcyclohexyl)but-2-enamide
CID 103683381
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
N-(2,3-dimethylcyclopentyl)-3-methylbut-2-enamide
CID 130489498
N-(2-methylcyclobutyl)-2-methylsulfonylacetamide
CID 130613646
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
1-(carbamoylamino)-3-(2-methylcyclobutyl)urea
CID 130659325
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
CID 112727975
propan-2-yl N-(2-methylcyclobutyl)carbamate
CID 126981468
N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
CID 104941383
(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide
CID 115344222
N-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)but-2-enamide
CID 54167766

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylcyclobutyl)but-2-enamide?
The IUPAC name of (E)-N-(2-methylcyclobutyl)but-2-enamide (CID 130555765) is (E)-N-(2-methylcyclobutyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-methylcyclobutyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-methylcyclobutyl)but-2-enamide is C/C=C/C(=O)NC1CCC1C.
What is the InChIKey of (E)-N-(2-methylcyclobutyl)but-2-enamide?
The InChIKey is WCOBMYSLFLPCOY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-9(11)10-8-6-5-7(8)2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/b4-3+.
What are the key properties of (E)-N-(2-methylcyclobutyl)but-2-enamide?
(E)-N-(2-methylcyclobutyl)but-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylcyclobutyl)but-2-enamide is sourced from PubChem (CID 130555765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).