5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile

C22H22N2O2 — CID 141434163

IUPAC5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2)cc1C#N
InChIInChI=1S/C22H22N2O2/c1-15(2)26-22-8-5-16(10-18(22)13-23)14-25-20-6-7-21-17(12-20)11-19-4-3-9-24(19)21/h5-8,10-12,15H,3-4,9,14H2,1-2H3
InChIKeySCDGQLUOVDHQTK-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.83
Rot. Bonds5

About 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile

5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile (PubChem CID 141434163) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile
PubChem CID141434163
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2)cc1C#N
InChIInChI=1S/C22H22N2O2/c1-15(2)26-22-8-5-16(10-18(22)13-23)14-25-20-6-7-21-17(12-20)11-19-4-3-9-24(19)21/h5-8,10-12,15H,3-4,9,14H2,1-2H3
InChIKeySCDGQLUOVDHQTK-UHFFFAOYSA-N
XLogP4.83
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile with MolForge

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Related Compounds

5-[(4-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)oxymethyl]-2-propan-2-yloxybenzonitrile
CID 141434160
2-[(3R)-6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-4-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 67249209
2-[(1S)-8-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-10-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indol-1-yl]acetic acid
CID 66852368
2-[(3R)-6-[(3-cyano-4-methoxyphenyl)methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 67250193
5-[[4-[(3-formylazetidin-1-yl)methyl]-3-methylphenoxy]methyl]-2-propan-2-yloxybenzonitrile;methanol
CID 176929899
1-[[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 176999697
tert-butyl 2-[6-[(3-cyano-4-cyclohexylphenyl)methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
CID 67249284
ethyl 2-[6-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetate
CID 78032757
4-ethoxy-2-propan-2-yloxybenzonitrile
CID 22721205
2-[6-[[4-cyano-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 58329614
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
2-phenylmethoxy-7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
CID 67250148

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile?
The IUPAC name of 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile (CID 141434163) is 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2)cc1C#N.
What is the InChIKey of 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile?
The InChIKey is SCDGQLUOVDHQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(2)26-22-8-5-16(10-18(22)13-23)14-25-20-6-7-21-17(12-20)11-19-4-3-9-24(19)21/h5-8,10-12,15H,3-4,9,14H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile?
5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile has a molecular weight of 346.43 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yloxymethyl)-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 141434163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).