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

C17H24N2O — CID 112540891

IUPAC2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
SMILESCCCn1c(C)c(CCO)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C17H24N2O/c1-4-6-19-12(2)15(5-7-20)16-8-13-10-18(3)11-14(13)9-17(16)19/h8-9,20H,4-7,10-11H2,1-3H3
InChIKeyOCNIDAXKOVMXNW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.84
Rot. Bonds4

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

2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol (PubChem CID 112540891) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
PubChem CID112540891
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol
SMILESCCCn1c(C)c(CCO)c2cc3c(cc21)CN(C)C3
InChIInChI=1S/C17H24N2O/c1-4-6-19-12(2)15(5-7-20)16-8-13-10-18(3)11-14(13)9-17(16)19/h8-9,20H,4-7,10-11H2,1-3H3
InChIKeyOCNIDAXKOVMXNW-UHFFFAOYSA-N
XLogP2.84
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The IUPAC name of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol (CID 112540891) is 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol.
What is the SMILES notation for 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The canonical SMILES for 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol is CCCn1c(C)c(CCO)c2cc3c(cc21)CN(C)C3.
What is the InChIKey of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
The InChIKey is OCNIDAXKOVMXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-6-19-12(2)15(5-7-20)16-8-13-10-18(3)11-14(13)9-17(16)19/h8-9,20H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol?
2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol has a molecular weight of 272.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)ethanol is sourced from PubChem (CID 112540891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).