7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole

C13H16N2O — CID 166963824

IUPAC7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole
SMILESC=C1NCCC2=C1NC1C=C(OC)C=CC21
InChIInChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,10,12,14-15H,1,5-6H2,2H3
InChIKeyZARPGBSWMXGEAW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.44
Rot. Bonds1

About 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole

7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole (PubChem CID 166963824) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole
PubChem CID166963824
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole
SMILESC=C1NCCC2=C1NC1C=C(OC)C=CC21
InChIInChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,10,12,14-15H,1,5-6H2,2H3
InChIKeyZARPGBSWMXGEAW-UHFFFAOYSA-N
XLogP1.44
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9b-dihydro-3aH-pyrano[2,3-g]indol-1-yl)ethanamine
CID 22236604
2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
1-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143829328
4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 143832123
6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole
CID 175610469
(3Z)-7-(4-methoxycyclohepta-2,4-dien-1-yl)-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-6-carbaldehyde
CID 143312452

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole?
The IUPAC name of 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole (CID 166963824) is 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole.
What is the SMILES notation for 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole?
The canonical SMILES for 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole is C=C1NCCC2=C1NC1C=C(OC)C=CC21.
What is the InChIKey of 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole?
The InChIKey is ZARPGBSWMXGEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,10,12,14-15H,1,5-6H2,2H3.
What are the key properties of 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole?
7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole has a molecular weight of 216.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole is sourced from PubChem (CID 166963824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).