N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide

C10H12N2 — CID 64985525

IUPACN'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
SMILESC/N=C(\N)C1Cc2ccccc21
InChIInChI=1S/C10H12N2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3,(H2,11,12)
InChIKeyUOKLHNGMXIXCAN-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.31
Rot. Bonds1

About N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide

N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide (PubChem CID 64985525) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide.

Molecular Properties

Compound NameN'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
PubChem CID64985525
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide
SMILESC/N=C(\N)C1Cc2ccccc21
InChIInChI=1S/C10H12N2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3,(H2,11,12)
InChIKeyUOKLHNGMXIXCAN-UHFFFAOYSA-N
XLogP1.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

bicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide;hydrochloride
CID 71758321
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methylidene]hydroxylamine
CID 71439719
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397141
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136004
(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395209
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370

Frequently Asked Questions

What is the IUPAC name of N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide?
The IUPAC name of N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide (CID 64985525) is N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide.
What is the SMILES notation for N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide?
The canonical SMILES for N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide is C/N=C(\N)C1Cc2ccccc21.
What is the InChIKey of N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide?
The InChIKey is UOKLHNGMXIXCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-10(11)9-6-7-4-2-3-5-8(7)9/h2-5,9H,6H2,1H3,(H2,11,12).
What are the key properties of N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide?
N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide has a molecular weight of 160.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboximidamide is sourced from PubChem (CID 64985525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).