(1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide

C11H14N2O — CID 58344637

IUPAC(1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide
SMILESC[C@@H]1CCc2c(/C(N)=N\O)cccc21
InChIInChI=1S/C11H14N2O/c1-7-5-6-9-8(7)3-2-4-10(9)11(12)13-14/h2-4,7,14H,5-6H2,1H3,(H2,12,13)/t7-/m1/s1
InChIKeyLCCIMJDYRZQYBT-SSDOTTSWSA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds1

About (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide

(1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide (PubChem CID 58344637) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide.

Molecular Properties

Compound Name(1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide
PubChem CID58344637
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide
SMILESC[C@@H]1CCc2c(/C(N)=N\O)cccc21
InChIInChI=1S/C11H14N2O/c1-7-5-6-9-8(7)3-2-4-10(9)11(12)13-14/h2-4,7,14H,5-6H2,1H3,(H2,12,13)/t7-/m1/s1
InChIKeyLCCIMJDYRZQYBT-SSDOTTSWSA-N
XLogP1.83
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sardomozide
CID 9576789
N'-hydroxy-2-methylbenzene-1-carboximidamide
CID 5752321
N-Hydroxy-2-methyl-benzamidine
CID 3098087
3-Methylbenzamidoxime
CID 9580378
9H-fluorene-2-carboximidamide;hydrochloride
CID 45260822
3,4-Dimethylbenzene-1-carboximidamide
CID 5221300
2-Methylbenzamide oxime, 97%
CID 5941605
(Z)-N'-Hydroxy-3,4-dimethylbenzene-1-carboximidamide
CID 43752594
N'-methyl-9H-fluorene-2-carboximidamide;hydrochloride
CID 45260831
N'-Hydroxy-3-methylbenzenecarboximidamide
CID 591591
(Hydroxyimino)(3-methylphenyl)methylamine
CID 5373152
Phenylbenzamidoxime
CID 5100833

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
The IUPAC name of (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide (CID 58344637) is (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide.
What is the SMILES notation for (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
The canonical SMILES for (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide is C[C@@H]1CCc2c(/C(N)=N\O)cccc21.
What is the InChIKey of (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
The InChIKey is LCCIMJDYRZQYBT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-6-9-8(7)3-2-4-10(9)11(12)13-14/h2-4,7,14H,5-6H2,1H3,(H2,12,13)/t7-/m1/s1.
What are the key properties of (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide?
(1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide has a molecular weight of 190.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-hydroxy-1-methyl-2,3-dihydro-1H-indene-4-carboximidamide is sourced from PubChem (CID 58344637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).