3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide

C11H12N2O — CID 19042291

IUPAC3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1C(C)CC2=O
InChIInChI=1S/C11H12N2O/c1-6-5-9(14)7-3-2-4-8(10(6)7)11(12)13/h2-4,6H,5H2,1H3,(H3,12,13)
InChIKeyHXBLDFVYXVXVDQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.66
Rot. Bonds1

About 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide

3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide (PubChem CID 19042291) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide.

Molecular Properties

Compound Name3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide
PubChem CID19042291
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1C(C)CC2=O
InChIInChI=1S/C11H12N2O/c1-6-5-9(14)7-3-2-4-8(10(6)7)11(12)13/h2-4,6H,5H2,1H3,(H3,12,13)
InChIKeyHXBLDFVYXVXVDQ-UHFFFAOYSA-N
XLogP1.66
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
CID 18937912
3-methyl-1-oxo-2,3-dihydroindene-4-carbonitrile
CID 19042303
biphenylene-1,8-dicarboximidamide
CID 71696896
9,10-dioxoanthracene-2,3-dicarboximidamide
CID 152601753
4,5-dichloro-3-methyl-2,3-dihydroinden-1-one
CID 11600962
1-(diaminomethylidenehydrazinylidene)-2-ethyl-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67721601
3-methyl-2-oxo-1H-benzimidazole-4-carboximidamide
CID 83877407
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenecarboximidamide
CID 24695357
3,4-dimethyl-6-oxocyclohexene-1-carboximidamide
CID 123328517
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936
3-methyl-2-(3,4,5-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 107110421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide?
The IUPAC name of 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide (CID 19042291) is 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide.
What is the SMILES notation for 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide?
The canonical SMILES for 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide is [H]/N=C(\N)c1cccc2c1C(C)CC2=O.
What is the InChIKey of 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide?
The InChIKey is HXBLDFVYXVXVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-5-9(14)7-3-2-4-8(10(6)7)11(12)13/h2-4,6H,5H2,1H3,(H3,12,13).
What are the key properties of 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide?
3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide has a molecular weight of 188.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-2,3-dihydroindene-4-carboximidamide is sourced from PubChem (CID 19042291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).