1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine

C8H10ClN — CID 134549387

IUPAC1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine
SMILESC=C(N)C1C=CC(Cl)=CC1
InChIInChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2,4-5,7H,1,3,10H2
InChIKeyWPTNQLJTDSXRDQ-UHFFFAOYSA-N
MW155.63 g/mol
LogP2.16
Rot. Bonds1

About 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine

1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine (PubChem CID 134549387) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine.

Molecular Properties

Compound Name1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine
PubChem CID134549387
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine
SMILESC=C(N)C1C=CC(Cl)=CC1
InChIInChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2,4-5,7H,1,3,10H2
InChIKeyWPTNQLJTDSXRDQ-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine?
The IUPAC name of 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine (CID 134549387) is 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine.
What is the SMILES notation for 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine?
The canonical SMILES for 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine is C=C(N)C1C=CC(Cl)=CC1.
What is the InChIKey of 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine?
The InChIKey is WPTNQLJTDSXRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2,4-5,7H,1,3,10H2.
What are the key properties of 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine?
1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine has a molecular weight of 155.63 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorocyclohexa-2,4-dien-1-yl)ethenamine is sourced from PubChem (CID 134549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).