(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine

C8H10ClN — CID 174464445

IUPAC(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine
SMILESC=C[C@@H]1C=CC=CC1(N)Cl
InChIInChI=1S/C8H10ClN/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1,10H2/t7-,8?/m1/s1
InChIKeyZUZCQPWCQZBCHH-GVHYBUMESA-N
MW155.63 g/mol
LogP1.81
Rot. Bonds1

About (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine

(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine (PubChem CID 174464445) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine
PubChem CID174464445
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine
SMILESC=C[C@@H]1C=CC=CC1(N)Cl
InChIInChI=1S/C8H10ClN/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1,10H2/t7-,8?/m1/s1
InChIKeyZUZCQPWCQZBCHH-GVHYBUMESA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

p-Dichloranilin
CID 67848008
1-Chloranilin
CID 69754128
1-Chloro-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 177700925
1,3-Dichlorocyclohexa-2,4-dien-1-amine
CID 21219786
1-Chloro-3-methylcyclohexa-2,4-dien-1-amine
CID 68154721
1-Chloro-4-methylcyclohexa-2,4-dien-1-amine;hydrochloride
CID 70408020
(E)-3-(6-amino-6-chlorocyclohexa-2,4-dien-1-yl)prop-2-enenitrile
CID 70585705
4-Chloro-1-methylcyclohexa-2,4-dien-1-amine
CID 88972243
3-Chloro-1-methylcyclohexa-2,4-dien-1-amine
CID 89715210
1-(4-Chlorocyclohexa-2,4-dien-1-yl)ethenamine
CID 134549387
(1,6-Dimethylcyclohexa-2,4-dien-1-yl)azanium chloride
CID 141102824
1,5-Dichlorocyclohexa-2,4-dien-1-amine;hydrochloride
CID 142638497

Frequently Asked Questions

What is the IUPAC name of (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine (CID 174464445) is (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine is C=C[C@@H]1C=CC=CC1(N)Cl.
What is the InChIKey of (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZUZCQPWCQZBCHH-GVHYBUMESA-N. The full InChI is InChI=1S/C8H10ClN/c1-2-7-5-3-4-6-8(7,9)10/h2-7H,1,10H2/t7-,8?/m1/s1.
What are the key properties of (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine?
(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine has a molecular weight of 155.63 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174464445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).