5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

C20H28N2O — CID 70301391

IUPAC5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCN1CCCC1Cc1c[nH]c2ccc(OC3CCCCC3)cc12
InChIInChI=1S/C20H28N2O/c1-22-11-5-6-16(22)12-15-14-21-20-10-9-18(13-19(15)20)23-17-7-3-2-4-8-17/h9-10,13-14,16-17,21H,2-8,11-12H2,1H3
InChIKeyAAAHKMSAPZHJEC-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.52
Rot. Bonds4

About 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (PubChem CID 70301391) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
PubChem CID70301391
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
SMILESCN1CCCC1Cc1c[nH]c2ccc(OC3CCCCC3)cc12
InChIInChI=1S/C20H28N2O/c1-22-11-5-6-16(22)12-15-14-21-20-10-9-18(13-19(15)20)23-17-7-3-2-4-8-17/h9-10,13-14,16-17,21H,2-8,11-12H2,1H3
InChIKeyAAAHKMSAPZHJEC-UHFFFAOYSA-N
XLogP4.52
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The IUPAC name of 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole (CID 70301391) is 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The canonical SMILES for 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is CN1CCCC1Cc1c[nH]c2ccc(OC3CCCCC3)cc12.
What is the InChIKey of 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
The InChIKey is AAAHKMSAPZHJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-22-11-5-6-16(22)12-15-14-21-20-10-9-18(13-19(15)20)23-17-7-3-2-4-8-17/h9-10,13-14,16-17,21H,2-8,11-12H2,1H3.
What are the key properties of 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole?
5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole has a molecular weight of 312.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 70301391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).