(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine

C6H8ClNO — CID 131976740

IUPAC(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine
SMILESC/C(Cl)=C\C=C/C=N/O
InChIInChI=1S/C6H8ClNO/c1-6(7)4-2-3-5-8-9/h2-5,9H,1H3/b3-2-,6-4+,8-5+
InChIKeyLGCGMQBFBKTFMB-PDDMAJEVSA-N
MW145.59 g/mol
LogP2.15
Rot. Bonds2

About (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine

(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine (PubChem CID 131976740) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine
PubChem CID131976740
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine
SMILESC/C(Cl)=C\C=C/C=N/O
InChIInChI=1S/C6H8ClNO/c1-6(7)4-2-3-5-8-9/h2-5,9H,1H3/b3-2-,6-4+,8-5+
InChIKeyLGCGMQBFBKTFMB-PDDMAJEVSA-N
XLogP2.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 52.15
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-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine (CID 131976740) is (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine is C/C(Cl)=C\C=C/C=N/O.
What is the InChIKey of (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine?
The InChIKey is LGCGMQBFBKTFMB-PDDMAJEVSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-6(7)4-2-3-5-8-9/h2-5,9H,1H3/b3-2-,6-4+,8-5+.
What are the key properties of (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine?
(NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine has a molecular weight of 145.59 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z,4E)-5-chlorohexa-2,4-dienylidene]hydroxylamine is sourced from PubChem (CID 131976740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).