N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine

C10H13NO — CID 72660164

IUPACN-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine
SMILESC=CC(=C)C=CC=C(C)C=NO
InChIInChI=1S/C10H13NO/c1-4-9(2)6-5-7-10(3)8-11-12/h4-8,12H,1-2H2,3H3
InChIKeyJRWNBTRMNUFMCB-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.69
Rot. Bonds4

About N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine

N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine (PubChem CID 72660164) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine
PubChem CID72660164
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine
SMILESC=CC(=C)C=CC=C(C)C=NO
InChIInChI=1S/C10H13NO/c1-4-9(2)6-5-7-10(3)8-11-12/h4-8,12H,1-2H2,3H3
InChIKeyJRWNBTRMNUFMCB-UHFFFAOYSA-N
XLogP2.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.69
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine (CID 72660164) is N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine is C=CC(=C)C=CC=C(C)C=NO.
What is the InChIKey of N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine?
The InChIKey is JRWNBTRMNUFMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-9(2)6-5-7-10(3)8-11-12/h4-8,12H,1-2H2,3H3.
What are the key properties of N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine?
N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-methylideneocta-2,4,7-trienylidene)hydroxylamine is sourced from PubChem (CID 72660164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).