6-chlorohepta-2,4,6-trien-3-ylazanium

C7H11ClN+ — CID 163699739

IUPAC6-chlorohepta-2,4,6-trien-3-ylazanium
SMILESC=C(Cl)C=CC([NH3+])=CC
InChIInChI=1S/C7H10ClN/c1-3-7(9)5-4-6(2)8/h3-5H,2,9H2,1H3/p+1
InChIKeyJZYOTCVGQMIVHA-UHFFFAOYSA-O
MW144.62 g/mol
LogP1.44
Rot. Bonds2

About 6-chlorohepta-2,4,6-trien-3-ylazanium

6-chlorohepta-2,4,6-trien-3-ylazanium (PubChem CID 163699739) has the molecular formula C7H11ClN+ and a molecular weight of 144.62 g/mol. Its IUPAC name is 6-chlorohepta-2,4,6-trien-3-ylazanium.

Molecular Properties

Compound Name6-chlorohepta-2,4,6-trien-3-ylazanium
PubChem CID163699739
Molecular FormulaC7H11ClN+
Molecular Weight144.62 g/mol
Exact Mass144.06
IUPAC Name6-chlorohepta-2,4,6-trien-3-ylazanium
SMILESC=C(Cl)C=CC([NH3+])=CC
InChIInChI=1S/C7H10ClN/c1-3-7(9)5-4-6(2)8/h3-5H,2,9H2,1H3/p+1
InChIKeyJZYOTCVGQMIVHA-UHFFFAOYSA-O
XLogP1.44
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.62
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
2,6-dichloro-5-methylidenehepta-1,3,6-triene
CID 91115524
(3Z)-5-chlorohexa-1,3,5-trien-2-amine
CID 134351965
N-(3-chlorobuta-1,3-dienyl)ethanimine
CID 123742417
2-chloropenta-1,3-diene;pent-3-en-2-one
CID 163430879
(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
2-chloro-5-methylhexa-1,3-diene
CID 91414508
(3Z)-2-chloro-7,7-dimethyl-5-methylideneocta-1,3-diene
CID 176661834
(5Z,6Z)-8-chloro-5-ethylidenenona-6,8-dien-2-one
CID 156886752

Frequently Asked Questions

What is the IUPAC name of 6-chlorohepta-2,4,6-trien-3-ylazanium?
The IUPAC name of 6-chlorohepta-2,4,6-trien-3-ylazanium (CID 163699739) is 6-chlorohepta-2,4,6-trien-3-ylazanium.
What is the SMILES notation for 6-chlorohepta-2,4,6-trien-3-ylazanium?
The canonical SMILES for 6-chlorohepta-2,4,6-trien-3-ylazanium is C=C(Cl)C=CC([NH3+])=CC.
What is the InChIKey of 6-chlorohepta-2,4,6-trien-3-ylazanium?
The InChIKey is JZYOTCVGQMIVHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10ClN/c1-3-7(9)5-4-6(2)8/h3-5H,2,9H2,1H3/p+1.
What are the key properties of 6-chlorohepta-2,4,6-trien-3-ylazanium?
6-chlorohepta-2,4,6-trien-3-ylazanium has a molecular weight of 144.62 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohepta-2,4,6-trien-3-ylazanium is sourced from PubChem (CID 163699739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).