N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine

C9H15NO — CID 10975690

IUPACN-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine
SMILESCC(C)=CC(C=C(C)C)=NO
InChIInChI=1S/C9H15NO/c1-7(2)5-9(10-11)6-8(3)4/h5-6,11H,1-4H3
InChIKeyNUQNOXOYPZPVHQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.75
Rot. Bonds2

About N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine

N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine (PubChem CID 10975690) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine
PubChem CID10975690
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine
SMILESCC(C)=CC(C=C(C)C)=NO
InChIInChI=1S/C9H15NO/c1-7(2)5-9(10-11)6-8(3)4/h5-6,11H,1-4H3
InChIKeyNUQNOXOYPZPVHQ-UHFFFAOYSA-N
XLogP2.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.75
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-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine?
The IUPAC name of N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine (CID 10975690) is N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine is CC(C)=CC(C=C(C)C)=NO.
What is the InChIKey of N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine?
The InChIKey is NUQNOXOYPZPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)5-9(10-11)6-8(3)4/h5-6,11H,1-4H3.
What are the key properties of N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine?
N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine has a molecular weight of 153.22 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylhepta-2,5-dien-4-ylidene)hydroxylamine is sourced from PubChem (CID 10975690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).