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

C10H18ClNO2 — CID 134690723

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNC2CCCCC2C1
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;/h7-9,11H,1-6H2,(H,12,13);1H
InChIKeyDEJMNAQLYRDQND-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.66
Rot. Bonds1

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

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride (PubChem CID 134690723) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride
PubChem CID134690723
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CNC2CCCCC2C1
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;/h7-9,11H,1-6H2,(H,12,13);1H
InChIKeyDEJMNAQLYRDQND-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride (CID 134690723) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CNC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride?
The InChIKey is DEJMNAQLYRDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;/h7-9,11H,1-6H2,(H,12,13);1H.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 134690723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).