N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride

C13H19ClN2O — CID 119524742

IUPACN-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1Cc2ccccc21.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-13(2,8-14)15-12(16)11-7-9-5-3-4-6-10(9)11;/h3-6,11H,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyFYBAQDLUGNOORF-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.60
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride (PubChem CID 119524742) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride
PubChem CID119524742
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1Cc2ccccc21.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-13(2,8-14)15-12(16)11-7-9-5-3-4-6-10(9)11;/h3-6,11H,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyFYBAQDLUGNOORF-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136004
N-[1-bromo-2-(bromomethyl)butan-2-yl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 107868168
N-(1-amino-2-methylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 119524658
N-(3-amino-2-methylpropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395688
N-(2-hydroxy-2-methylpentyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113246017
N-(2-amino-2-sulfanylideneethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394762
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618
N-[2-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395880
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4,4-dimethylpentan-1-one
CID 64982056
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119522411
N-(2-chloropropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114296152
N-[(2R)-2-hydroxypropyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 83032513

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride (CID 119524742) is N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride is CC(C)(CN)NC(=O)C1Cc2ccccc21.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride?
The InChIKey is FYBAQDLUGNOORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-13(2,8-14)15-12(16)11-7-9-5-3-4-6-10(9)11;/h3-6,11H,7-8,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide;hydrochloride is sourced from PubChem (CID 119524742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).