N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine

C12H13NO — CID 88836159

IUPACN-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine
SMILESCc1cccc2c1C1CC2CC1=NO
InChIInChI=1S/C12H13NO/c1-7-3-2-4-9-8-5-10(12(7)9)11(6-8)13-14/h2-4,8,10,14H,5-6H2,1H3
InChIKeyYRVMPSDSWWEWMB-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.80
Rot. Bonds

About N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine

N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine (PubChem CID 88836159) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine
PubChem CID88836159
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine
SMILESCc1cccc2c1C1CC2CC1=NO
InChIInChI=1S/C12H13NO/c1-7-3-2-4-9-8-5-10(12(7)9)11(6-8)13-14/h2-4,8,10,14H,5-6H2,1H3
InChIKeyYRVMPSDSWWEWMB-UHFFFAOYSA-N
XLogP2.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.80
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-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine?
The IUPAC name of N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine (CID 88836159) is N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine.
What is the SMILES notation for N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine?
The canonical SMILES for N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine is Cc1cccc2c1C1CC2CC1=NO.
What is the InChIKey of N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine?
The InChIKey is YRVMPSDSWWEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-3-2-4-9-8-5-10(12(7)9)11(6-8)13-14/h2-4,8,10,14H,5-6H2,1H3.
What are the key properties of N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine?
N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienylidene)hydroxylamine is sourced from PubChem (CID 88836159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).