6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole

C12H16N2O — CID 175610469

IUPAC6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole
SMILESCOC1=C2NC3=C(CNCC3)C2CC=C1
InChIInChI=1S/C12H16N2O/c1-15-11-4-2-3-8-9-7-13-6-5-10(9)14-12(8)11/h2,4,8,13-14H,3,5-7H2,1H3
InChIKeyLNERKLATGKALHH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds1

About 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole

6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole (PubChem CID 175610469) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole
PubChem CID175610469
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole
SMILESCOC1=C2NC3=C(CNCC3)C2CC=C1
InChIInChI=1S/C12H16N2O/c1-15-11-4-2-3-8-9-7-13-6-5-10(9)14-12(8)11/h2,4,8,13-14H,3,5-7H2,1H3
InChIKeyLNERKLATGKALHH-UHFFFAOYSA-N
XLogP1.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

2-(5-methoxy-3a,7a-dihydro-1H-indol-3-yl)ethanamine
CID 59686728
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
5-Methoxy-2-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135401
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine;prop-1-ene
CID 142952586
7-Methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
CID 144980700
4-methoxy-N-[(Z)-[(4S)-4-methylpiperidin-3-ylidene]methyl]cyclohexa-2,4-dien-1-amine
CID 163429031
7-Methoxy-1-methylidene-2,3,4,4b,8a,9-hexahydropyrido[3,4-b]indole
CID 166963824
2-(aminomethyl)-6-[(Z,2E)-2-ethylidenepent-3-enoxy]-N-propyl-3,3a-dihydro-2H-inden-1-amine
CID 142952587

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole (CID 175610469) is 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole is COC1=C2NC3=C(CNCC3)C2CC=C1.
What is the InChIKey of 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole?
The InChIKey is LNERKLATGKALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-11-4-2-3-8-9-7-13-6-5-10(9)14-12(8)11/h2,4,8,13-14H,3,5-7H2,1H3.
What are the key properties of 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole?
6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole has a molecular weight of 204.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,3,4,5,9,9a-hexahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 175610469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).