2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol

C16H22N2O — CID 112540741

IUPAC2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
SMILESCCCn1cc(CCO)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C16H22N2O/c1-3-5-18-11-12(4-6-19)15-7-13-9-17(2)10-14(13)8-16(15)18/h7-8,11,19H,3-6,9-10H2,1-2H3
InChIKeyOHDKTEZTPAJYSA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.53
Rot. Bonds4

About 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol

2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol (PubChem CID 112540741) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
PubChem CID112540741
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
SMILESCCCn1cc(CCO)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C16H22N2O/c1-3-5-18-11-12(4-6-19)15-7-13-9-17(2)10-14(13)8-16(15)18/h7-8,11,19H,3-6,9-10H2,1-2H3
InChIKeyOHDKTEZTPAJYSA-UHFFFAOYSA-N
XLogP2.53
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)pentan-3-amine
CID 83983784
4-(1-ethyl-6-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)butan-2-one
CID 112540759
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
CID 112540891
3-(5,6-dimethyl-1-propylindol-3-yl)propan-1-ol
CID 83944350
3-(5-bromo-1-propylindol-3-yl)propan-1-ol
CID 83946739
ethyl 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83984236
3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid
CID 83983863
3-(1-butyl-5,6-diethoxyindol-3-yl)propan-1-ol
CID 83944729
3-(1-butyl-6-chloro-5-methylindol-3-yl)propan-1-ol
CID 83944419
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
N-[2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 112540768
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-N-ethylethanamine
CID 112540888

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The IUPAC name of 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol (CID 112540741) is 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol.
What is the SMILES notation for 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The canonical SMILES for 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol is CCCn1cc(CCO)c2cc3c(cc21)CN(C)C3.
What is the InChIKey of 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The InChIKey is OHDKTEZTPAJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-5-18-11-12(4-6-19)15-7-13-9-17(2)10-14(13)8-16(15)18/h7-8,11,19H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol is sourced from PubChem (CID 112540741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).