4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride

C9H17Cl2N — CID 45156265

IUPAC4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
SMILESCl.ClC1CCNC2CCCCC12
InChIInChI=1S/C9H16ClN.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h7-9,11H,1-6H2;1H
InChIKeyWBYZYYUBKGAWJO-UHFFFAOYSA-N
MW210.15 g/mol
LogP2.57
Rot. Bonds

About 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride

4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride (PubChem CID 45156265) has the molecular formula C9H17Cl2N and a molecular weight of 210.15 g/mol. Its IUPAC name is 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride.

Molecular Properties

Compound Name4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
PubChem CID45156265
Molecular FormulaC9H17Cl2N
Molecular Weight210.15 g/mol
Exact Mass209.07
IUPAC Name4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
SMILESCl.ClC1CCNC2CCCCC12
InChIInChI=1S/C9H16ClN.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h7-9,11H,1-6H2;1H
InChIKeyWBYZYYUBKGAWJO-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The IUPAC name of 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride (CID 45156265) is 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride.
What is the SMILES notation for 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The canonical SMILES for 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride is Cl.ClC1CCNC2CCCCC12.
What is the InChIKey of 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
The InChIKey is WBYZYYUBKGAWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h7-9,11H,1-6H2;1H.
What are the key properties of 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride?
4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride has a molecular weight of 210.15 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride is sourced from PubChem (CID 45156265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).