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

C13H17NO2 — CID 70275125

IUPAC(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
SMILESCOc1cccc2c1[C@H]1CCNCC1CO2
InChIInChI=1S/C13H17NO2/c1-15-11-3-2-4-12-13(11)10-5-6-14-7-9(10)8-16-12/h2-4,9-10,14H,5-8H2,1H3/t9?,10-/m0/s1
InChIKeyFOVXWOWIEALDBR-AXDSSHIGSA-N
MW219.28 g/mol
LogP1.78
Rot. Bonds1

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

(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine (PubChem CID 70275125) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine.

Molecular Properties

Compound Name(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
PubChem CID70275125
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
SMILESCOc1cccc2c1[C@H]1CCNCC1CO2
InChIInChI=1S/C13H17NO2/c1-15-11-3-2-4-12-13(11)10-5-6-14-7-9(10)8-16-12/h2-4,9-10,14H,5-8H2,1H3/t9?,10-/m0/s1
InChIKeyFOVXWOWIEALDBR-AXDSSHIGSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
(4aR,10bS)-10-methoxy-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine;hydrochloride
CID 18603865
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
5-[(3aS,9bR)-9-methoxy-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]pentan-1-amine
CID 21309088
ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
CID 156843779
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
(2R)-2-[[(3S)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl]-1-methylpyrrolidine
CID 178102740
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003
3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 154037863
(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 59185838
(4S)-4-(2,6-dimethoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183799

Frequently Asked Questions

What is the IUPAC name of (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine?
The IUPAC name of (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine (CID 70275125) is (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine.
What is the SMILES notation for (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine?
The canonical SMILES for (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine is COc1cccc2c1[C@H]1CCNCC1CO2.
What is the InChIKey of (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine?
The InChIKey is FOVXWOWIEALDBR-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-11-3-2-4-12-13(11)10-5-6-14-7-9(10)8-16-12/h2-4,9-10,14H,5-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine?
(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine has a molecular weight of 219.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine is sourced from PubChem (CID 70275125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).