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

C10H13NO — CID 87814596

IUPACN-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine
SMILESC=CC(=C)C=C/C=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/b6-5?,10-7-,11-8?
InChIKeyJRWNBTRMNUFMCB-ZQBRAXTESA-N
MW163.22 g/mol
LogP2.69
Rot. Bonds4

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

N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine (PubChem CID 87814596) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine
PubChem CID87814596
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine
SMILESC=CC(=C)C=C/C=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/b6-5?,10-7-,11-8?
InChIKeyJRWNBTRMNUFMCB-ZQBRAXTESA-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-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine?
The IUPAC name of N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine (CID 87814596) is N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine.
What is the SMILES notation for N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine?
The canonical SMILES for N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine is C=CC(=C)C=C/C=C(/C)C=NO.
What is the InChIKey of N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine?
The InChIKey is JRWNBTRMNUFMCB-ZQBRAXTESA-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/b6-5?,10-7-,11-8?.
What are the key properties of N-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine?
N-[(2Z)-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-[(2Z)-2-methyl-6-methylideneocta-2,4,7-trienylidene]hydroxylamine is sourced from PubChem (CID 87814596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).