(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride

C12H16ClNO — CID 175798216

IUPAC(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
SMILESCl.c1ccc2c(c1)OC[C@H]1CNCC[C@H]21
InChIInChI=1S/C12H15NO.ClH/c1-2-4-12-11(3-1)10-5-6-13-7-9(10)8-14-12;/h1-4,9-10,13H,5-8H2;1H/t9-,10+;/m1./s1
InChIKeyUJDBLSPTLWBGIX-UXQCFNEQSA-N
MW225.72 g/mol
LogP2.19
Rot. Bonds

About (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride

(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride (PubChem CID 175798216) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
PubChem CID175798216
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
SMILESCl.c1ccc2c(c1)OC[C@H]1CNCC[C@H]21
InChIInChI=1S/C12H15NO.ClH/c1-2-4-12-11(3-1)10-5-6-13-7-9(10)8-14-12;/h1-4,9-10,13H,5-8H2;1H/t9-,10+;/m1./s1
InChIKeyUJDBLSPTLWBGIX-UXQCFNEQSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,11bS)-1,2,3,4,4a,5,6,11b-octahydro-[1]benzoxepino[4,5-c]pyridine
CID 165145899
(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 70275125
(4aS,10bR)-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]isoquinoline
CID 54260071
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
CID 113422693
(3aR,9bS)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromen-2-one
CID 169308199
(4S,4aR)-4-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 57149201
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
CID 18520560
(4aR,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrido[4,3-d][1,3]oxazin-2-one;hydrochloride
CID 139531321

Frequently Asked Questions

What is the IUPAC name of (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride?
The IUPAC name of (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride (CID 175798216) is (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride.
What is the SMILES notation for (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride?
The canonical SMILES for (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride is Cl.c1ccc2c(c1)OC[C@H]1CNCC[C@H]21.
What is the InChIKey of (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride?
The InChIKey is UJDBLSPTLWBGIX-UXQCFNEQSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-2-4-12-11(3-1)10-5-6-13-7-9(10)8-14-12;/h1-4,9-10,13H,5-8H2;1H/t9-,10+;/m1./s1.
What are the key properties of (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride?
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride is sourced from PubChem (CID 175798216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).