N-cyclobutylbuta-2,3-dienamide

C8H11NO — CID 90867738

IUPACN-cyclobutylbuta-2,3-dienamide
SMILESC=C=CC(=O)NC1CCC1
InChIInChI=1S/C8H11NO/c1-2-4-8(10)9-7-5-3-6-7/h4,7H,1,3,5-6H2,(H,9,10)
InChIKeyFOGTZNMNAHSYDY-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.00
Rot. Bonds2

About N-cyclobutylbuta-2,3-dienamide

N-cyclobutylbuta-2,3-dienamide (PubChem CID 90867738) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-cyclobutylbuta-2,3-dienamide.

Molecular Properties

Compound NameN-cyclobutylbuta-2,3-dienamide
PubChem CID90867738
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-cyclobutylbuta-2,3-dienamide
SMILESC=C=CC(=O)NC1CCC1
InChIInChI=1S/C8H11NO/c1-2-4-8(10)9-7-5-3-6-7/h4,7H,1,3,5-6H2,(H,9,10)
InChIKeyFOGTZNMNAHSYDY-UHFFFAOYSA-N
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.00
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

N-cyclodecylprop-2-enamide
CID 18400354
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
cyclobutylcarbamothioic S-acid
CID 115169770
1-cyclobutyl-3-cyclohexylurea
CID 17217147
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
cis-(1S,3R)-3-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 95362904
N-(azepan-4-yl)prop-2-enamide
CID 107172224
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331
(Z)-N-cyclopentyl-3-methoxybut-2-enamide
CID 70612177

Frequently Asked Questions

What is the IUPAC name of N-cyclobutylbuta-2,3-dienamide?
The IUPAC name of N-cyclobutylbuta-2,3-dienamide (CID 90867738) is N-cyclobutylbuta-2,3-dienamide.
What is the SMILES notation for N-cyclobutylbuta-2,3-dienamide?
The canonical SMILES for N-cyclobutylbuta-2,3-dienamide is C=C=CC(=O)NC1CCC1.
What is the InChIKey of N-cyclobutylbuta-2,3-dienamide?
The InChIKey is FOGTZNMNAHSYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-8(10)9-7-5-3-6-7/h4,7H,1,3,5-6H2,(H,9,10).
What are the key properties of N-cyclobutylbuta-2,3-dienamide?
N-cyclobutylbuta-2,3-dienamide has a molecular weight of 137.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutylbuta-2,3-dienamide is sourced from PubChem (CID 90867738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).