N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C10H11NO — CID 86608367

IUPACN-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCc1ccc2c(c1)C(=NO)CC2
InChIInChI=1S/C10H11NO/c1-7-2-3-8-4-5-10(11-12)9(8)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyXJCLZLHMLPUOAD-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.12
Rot. Bonds

About N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine

N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 86608367) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID86608367
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCc1ccc2c(c1)C(=NO)CC2
InChIInChI=1S/C10H11NO/c1-7-2-3-8-4-5-10(11-12)9(8)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyXJCLZLHMLPUOAD-UHFFFAOYSA-N
XLogP2.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 86608367) is N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine is Cc1ccc2c(c1)C(=NO)CC2.
What is the InChIKey of N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is XJCLZLHMLPUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-2-3-8-4-5-10(11-12)9(8)6-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 86608367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).