2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C15H18N2 — CID 66612137

IUPAC2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CN(C1CC1)CC3
InChIInChI=1S/C15H18N2/c1-10-2-5-14-12(8-10)13-9-17(11-3-4-11)7-6-15(13)16-14/h2,5,8,11,16H,3-4,6-7,9H2,1H3
InChIKeyCFFNISZFOSHXKX-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.00
Rot. Bonds1

About 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 66612137) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID66612137
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CN(C1CC1)CC3
InChIInChI=1S/C15H18N2/c1-10-2-5-14-12(8-10)13-9-17(11-3-4-11)7-6-15(13)16-14/h2,5,8,11,16H,3-4,6-7,9H2,1H3
InChIKeyCFFNISZFOSHXKX-UHFFFAOYSA-N
XLogP3.00
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 68763051
2-cyclopentyl-8-nitro-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59316072
(2-cyclopentyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone;ethane
CID 143296321
(2-cyclohexyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-8-yl)-(4-methylpiperidin-1-yl)methanone
CID 173179128
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
[4-(4-ethylphenyl)phenyl]-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 141122674
ethyl 3-(2-cyclopentyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbonyl)-1,3-diazinane-1-carboxylate
CID 143647961
2-(5-ethylthiophen-2-yl)sulfonyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089213
2-benzyl-9-methyl-3,4,5,6-tetrahydro-1H-azepino[4,3-b]indole;hydrochloride
CID 155524557
(4-bromophenyl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 32849584
2,7-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 687265

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 66612137) is 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is Cc1ccc2[nH]c3c(c2c1)CN(C1CC1)CC3.
What is the InChIKey of 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is CFFNISZFOSHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-2-5-14-12(8-10)13-9-17(11-3-4-11)7-6-15(13)16-14/h2,5,8,11,16H,3-4,6-7,9H2,1H3.
What are the key properties of 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 226.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 66612137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).