1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole

C12H14N2 — CID 153307387

IUPAC1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCC1NCCC2=C3CC=CC=C3N=C21
InChIInChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-3,5,8,13H,4,6-7H2,1H3
InChIKeyAMWZXUHAXSGMOO-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.96
Rot. Bonds

About 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole

1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 153307387) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID153307387
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCC1NCCC2=C3CC=CC=C3N=C21
InChIInChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-3,5,8,13H,4,6-7H2,1H3
InChIKeyAMWZXUHAXSGMOO-UHFFFAOYSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-1h-pyrido[4,3-b]indole
CID 56981217
Tetrahydropyrrolocarbazole
CID 88019937
9-(difluoromethyl)-2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 141242559
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
Hexahydro-benzo[b][1,7]phenanthroline
CID 129756946
Dihydrocyclopentaquinoxaline
CID 129785985
Hexahydroazonino[5,6-b]indole
CID 129799442
Indole and spiropiperidine
CID 129819653
(7E)-1,2,3,4,5,6-hexahydroazonino[5,4-b]indol-8-ium
CID 135039127
9-Methylpyridoindole
CID 171904722
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole (CID 153307387) is 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole is CC1NCCC2=C3CC=CC=C3N=C21.
What is the InChIKey of 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is AMWZXUHAXSGMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-3,5,8,13H,4,6-7H2,1H3.
What are the key properties of 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole?
1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 186.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 153307387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).