1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole

C13H15NO — CID 162409585

IUPAC1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESCOc1cccc2c1cc1n2CCCC1
InChIInChI=1S/C13H15NO/c1-15-13-7-4-6-12-11(13)9-10-5-2-3-8-14(10)12/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyCBHAMVRNTQOLMY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.99
Rot. Bonds1

About 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole

1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole (PubChem CID 162409585) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole.

Molecular Properties

Compound Name1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole
PubChem CID162409585
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole
SMILESCOc1cccc2c1cc1n2CCCC1
InChIInChI=1S/C13H15NO/c1-15-13-7-4-6-12-11(13)9-10-5-2-3-8-14(10)12/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyCBHAMVRNTQOLMY-UHFFFAOYSA-N
XLogP2.99
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Harmaline
CID 3564
Metralindole
CID 68713
Arvelexin
CID 119406
Pinoline
CID 1868
6-Methoxyharmalan
CID 417052
2-methoxy-3-methyl-9H-carbazole
CID 11052947
5-Methoxy-N,N,2-trimethyl-1H-indole-3-ethanamine
CID 49756
4-Methoxy-1H-indole
CID 138363
2-(2-Aminoethyl)-5-methoxyindole
CID 17654
1H-2-(2-Methoxyphenyl)indole
CID 901191
6-Methoxy-1H-indole
CID 76659
2-(4-methoxyphenyl)-1H-indole
CID 231244

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The IUPAC name of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole (CID 162409585) is 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole.
What is the SMILES notation for 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The canonical SMILES for 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole is COc1cccc2c1cc1n2CCCC1.
What is the InChIKey of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole?
The InChIKey is CBHAMVRNTQOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-13-7-4-6-12-11(13)9-10-5-2-3-8-14(10)12/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole?
1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole has a molecular weight of 201.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6,7,8,9-tetrahydropyrido[1,2-a]indole is sourced from PubChem (CID 162409585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).