(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride

C10H18ClNO2 — CID 51051804

IUPAC(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11;/h8-9H,1-7H2,(H,12,13);1H/t8-,9-;/m1./s1
InChIKeyQFMWAHYNWNFAGF-VTLYIQCISA-N
MW219.71 g/mol
LogP1.76
Rot. Bonds1

About (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride

(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride (PubChem CID 51051804) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride
PubChem CID51051804
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCCN2CCCC[C@H]12
InChIInChI=1S/C10H17NO2.ClH/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11;/h8-9H,1-7H2,(H,12,13);1H/t8-,9-;/m1./s1
InChIKeyQFMWAHYNWNFAGF-VTLYIQCISA-N
XLogP1.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride?
The IUPAC name of (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride (CID 51051804) is (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCCN2CCCC[C@H]12.
What is the InChIKey of (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride?
The InChIKey is QFMWAHYNWNFAGF-VTLYIQCISA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11;/h8-9H,1-7H2,(H,12,13);1H/t8-,9-;/m1./s1.
What are the key properties of (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride?
(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 51051804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).