(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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Related Compounds

(5Z,7E)-8-chloronona-1,5,7-triene
CID 142147168
(3Z,5E)-6-chlorohepta-3,5-dien-1-amine
CID 88940379
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
methyl (4Z,6E)-7-chloroocta-4,6-dienoate
CID 131856006
cobalt;(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine
CID 174050213
[(Z)-3-chlorobut-2-enylidene]-dimethylazanium
CID 21132458
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
N-ethenyl-5-methylhexa-2,4-dien-1-imine
CID 91120080
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene
CID 23272827
(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
CID 122521311
6-chloro-3-methylhepta-3,5-dien-2-one
CID 123359720

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).