(NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine

C12H19NO — CID 87864861

IUPAC(NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine
SMILESC/C=C/C=C/C=C/C/C(CCC)=N/O
InChIInChI=1S/C12H19NO/c1-3-5-6-7-8-9-11-12(13-14)10-4-2/h3,5-9,14H,4,10-11H2,1-2H3/b5-3+,7-6+,9-8+,13-12+
InChIKeyVPHONLOFVOSYJO-JKJHAKGRSA-N
MW193.29 g/mol
LogP3.70
Rot. Bonds6

About (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine

(NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine (PubChem CID 87864861) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine
PubChem CID87864861
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine
SMILESC/C=C/C=C/C=C/C/C(CCC)=N/O
InChIInChI=1S/C12H19NO/c1-3-5-6-7-8-9-11-12(13-14)10-4-2/h3,5-9,14H,4,10-11H2,1-2H3/b5-3+,7-6+,9-8+,13-12+
InChIKeyVPHONLOFVOSYJO-JKJHAKGRSA-N
XLogP3.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.70
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 (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine (CID 87864861) is (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine is C/C=C/C=C/C=C/C/C(CCC)=N/O.
What is the InChIKey of (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine?
The InChIKey is VPHONLOFVOSYJO-JKJHAKGRSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-6-7-8-9-11-12(13-14)10-4-2/h3,5-9,14H,4,10-11H2,1-2H3/b5-3+,7-6+,9-8+,13-12+.
What are the key properties of (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine?
(NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6E,8E,10E)-dodeca-6,8,10-trien-4-ylidene]hydroxylamine is sourced from PubChem (CID 87864861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).