1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole

C19H26N2O — CID 3044848

IUPAC1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole
SMILESCn1c2c(c3ccccc31)CCOC2(C)CCN1CCCC1
InChIInChI=1S/C19H26N2O/c1-19(10-13-21-11-5-6-12-21)18-16(9-14-22-19)15-7-3-4-8-17(15)20(18)2/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyIGIHFDJJCWNQNL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.45
Rot. Bonds3

About 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole

1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole (PubChem CID 3044848) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole.

Molecular Properties

Compound Name1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole
PubChem CID3044848
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole
SMILESCn1c2c(c3ccccc31)CCOC2(C)CCN1CCCC1
InChIInChI=1S/C19H26N2O/c1-19(10-13-21-11-5-6-12-21)18-16(9-14-22-19)15-7-3-4-8-17(15)20(18)2/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKeyIGIHFDJJCWNQNL-UHFFFAOYSA-N
XLogP3.45
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Cebranopadol
CID 11848225
1,8-diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole
CID 154191
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;hydrochloride
CID 66986402
2-(Methoxymethyl)-1-methyl-5-nitro-3-phenylindole
CID 748659
2'-(2-iodo-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176144
1-methyl-5-nitro-3-phenyl-2-(propoxymethyl)-1H-indole
CID 71148612
1-ethyl-3-(4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-indole
CID 3545527
[1-(methoxymethyl)-1H-indol-2-yl](phenyl)methanol
CID 11842269
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole];dihydrochloride
CID 14789979
2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14789984

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole?
The IUPAC name of 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole (CID 3044848) is 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole.
What is the SMILES notation for 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole?
The canonical SMILES for 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole is Cn1c2c(c3ccccc31)CCOC2(C)CCN1CCCC1.
What is the InChIKey of 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole?
The InChIKey is IGIHFDJJCWNQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(10-13-21-11-5-6-12-21)18-16(9-14-22-19)15-7-3-4-8-17(15)20(18)2/h3-4,7-8H,5-6,9-14H2,1-2H3.
What are the key properties of 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole?
1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole has a molecular weight of 298.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole is sourced from PubChem (CID 3044848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).