(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine

C8H15NO — CID 134895395

IUPAC(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine
SMILESCCC(/C=C/C(C)C)=N/O
InChIInChI=1S/C8H15NO/c1-4-8(9-10)6-5-7(2)3/h5-7,10H,4H2,1-3H3/b6-5+,9-8-
InChIKeyBACAPKVXGGLRMC-NKEWZBFXSA-N
MW141.21 g/mol
LogP2.44
Rot. Bonds3

About (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine

(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine (PubChem CID 134895395) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine
PubChem CID134895395
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine
SMILESCCC(/C=C/C(C)C)=N/O
InChIInChI=1S/C8H15NO/c1-4-8(9-10)6-5-7(2)3/h5-7,10H,4H2,1-3H3/b6-5+,9-8-
InChIKeyBACAPKVXGGLRMC-NKEWZBFXSA-N
XLogP2.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.44
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 (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine (CID 134895395) is (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine is CCC(/C=C/C(C)C)=N/O.
What is the InChIKey of (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine?
The InChIKey is BACAPKVXGGLRMC-NKEWZBFXSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(9-10)6-5-7(2)3/h5-7,10H,4H2,1-3H3/b6-5+,9-8-.
What are the key properties of (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine?
(NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine has a molecular weight of 141.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-6-methylhept-4-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 134895395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).