(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine

C13H17NO — CID 58294510

IUPAC(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
SMILESCOc1ccc2c(c1)C1CCCN[C@H]1C2
InChIInChI=1S/C13H17NO/c1-15-10-5-4-9-7-13-11(12(9)8-10)3-2-6-14-13/h4-5,8,11,13-14H,2-3,6-7H2,1H3/t11?,13-/m0/s1
InChIKeyQDQSCYPTBGSQBP-YUZLPWPTSA-N
MW203.28 g/mol
LogP2.09
Rot. Bonds1

About (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine

(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine (PubChem CID 58294510) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
PubChem CID58294510
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
SMILESCOc1ccc2c(c1)C1CCCN[C@H]1C2
InChIInChI=1S/C13H17NO/c1-15-10-5-4-9-7-13-11(12(9)8-10)3-2-6-14-13/h4-5,8,11,13-14H,2-3,6-7H2,1H3/t11?,13-/m0/s1
InChIKeyQDQSCYPTBGSQBP-YUZLPWPTSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine with MolForge

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Related Compounds

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CID 67194889
(4aS,9aR)-6-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67223868
(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
CID 155392745
6-(cyclopenten-1-yl)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67224046
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980
6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one
CID 79539176
(4aS,10bR)-7,9-dimethoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 71412434
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(1S,9S,17S)-4-methoxy-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5-triene
CID 10106525
4-methoxy-2,2a,7,7a-tetrahydrocyclobuta[a]inden-1-one
CID 81421647
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
9-methoxy-5,5a,6,10b-tetrahydroindeno[2,1-b]indole
CID 22408501

Frequently Asked Questions

What is the IUPAC name of (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
The IUPAC name of (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine (CID 58294510) is (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine.
What is the SMILES notation for (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
The canonical SMILES for (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine is COc1ccc2c(c1)C1CCCN[C@H]1C2.
What is the InChIKey of (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
The InChIKey is QDQSCYPTBGSQBP-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H17NO/c1-15-10-5-4-9-7-13-11(12(9)8-10)3-2-6-14-13/h4-5,8,11,13-14H,2-3,6-7H2,1H3/t11?,13-/m0/s1.
What are the key properties of (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine?
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine has a molecular weight of 203.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine is sourced from PubChem (CID 58294510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).