N-(5-methylhex-3-en-2-ylidene)hydroxylamine

C7H13NO — CID 76813072

IUPACN-(5-methylhex-3-en-2-ylidene)hydroxylamine
SMILESCC(C=CC(C)C)=NO
InChIInChI=1S/C7H13NO/c1-6(2)4-5-7(3)8-9/h4-6,9H,1-3H3
InChIKeyOYHHYLJKCDHJNE-UHFFFAOYSA-N
MW127.19 g/mol
LogP2.05
Rot. Bonds2

About N-(5-methylhex-3-en-2-ylidene)hydroxylamine

N-(5-methylhex-3-en-2-ylidene)hydroxylamine (PubChem CID 76813072) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(5-methylhex-3-en-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-methylhex-3-en-2-ylidene)hydroxylamine
PubChem CID76813072
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(5-methylhex-3-en-2-ylidene)hydroxylamine
SMILESCC(C=CC(C)C)=NO
InChIInChI=1S/C7H13NO/c1-6(2)4-5-7(3)8-9/h4-6,9H,1-3H3
InChIKeyOYHHYLJKCDHJNE-UHFFFAOYSA-N
XLogP2.05
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.05
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-(5-methylhex-3-en-2-ylidene)hydroxylamine?
The IUPAC name of N-(5-methylhex-3-en-2-ylidene)hydroxylamine (CID 76813072) is N-(5-methylhex-3-en-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-methylhex-3-en-2-ylidene)hydroxylamine?
The canonical SMILES for N-(5-methylhex-3-en-2-ylidene)hydroxylamine is CC(C=CC(C)C)=NO.
What is the InChIKey of N-(5-methylhex-3-en-2-ylidene)hydroxylamine?
The InChIKey is OYHHYLJKCDHJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)4-5-7(3)8-9/h4-6,9H,1-3H3.
What are the key properties of N-(5-methylhex-3-en-2-ylidene)hydroxylamine?
N-(5-methylhex-3-en-2-ylidene)hydroxylamine has a molecular weight of 127.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhex-3-en-2-ylidene)hydroxylamine is sourced from PubChem (CID 76813072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).