[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol

C27H32N2O — CID 144724677

IUPAC[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCn1c(CN2CCCC2CO)cc2cc(-c3cccc(C4=CCCCC4)c3)ccc21
InChIInChI=1S/C27H32N2O/c1-28-26(18-29-14-6-11-25(29)19-30)17-24-16-23(12-13-27(24)28)22-10-5-9-21(15-22)20-7-3-2-4-8-20/h5,7,9-10,12-13,15-17,25,30H,2-4,6,8,11,14,18-19H2,1H3
InChIKeyZXJUXOMLXLCQCA-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.76
Rot. Bonds5

About [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 144724677) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID144724677
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCn1c(CN2CCCC2CO)cc2cc(-c3cccc(C4=CCCCC4)c3)ccc21
InChIInChI=1S/C27H32N2O/c1-28-26(18-29-14-6-11-25(29)19-30)17-24-16-23(12-13-27(24)28)22-10-5-9-21(15-22)20-7-3-2-4-8-20/h5,7,9-10,12-13,15-17,25,30H,2-4,6,8,11,14,18-19H2,1H3
InChIKeyZXJUXOMLXLCQCA-UHFFFAOYSA-N
XLogP5.76
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 144724677) is [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol is Cn1c(CN2CCCC2CO)cc2cc(-c3cccc(C4=CCCCC4)c3)ccc21.
What is the InChIKey of [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZXJUXOMLXLCQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-28-26(18-29-14-6-11-25(29)19-30)17-24-16-23(12-13-27(24)28)22-10-5-9-21(15-22)20-7-3-2-4-8-20/h5,7,9-10,12-13,15-17,25,30H,2-4,6,8,11,14,18-19H2,1H3.
What are the key properties of [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 400.57 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[3-(cyclohexen-1-yl)phenyl]-1-methylindol-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 144724677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).