propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate

C18H23NO2 — CID 66835544

IUPACpropan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1
InChIInChI=1S/C18H23NO2/c1-12(2)21-18(20)14-8-9-15-16(13-6-4-5-7-13)11-19(3)17(15)10-14/h8-13H,4-7H2,1-3H3
InChIKeyUQQPAWZVYVDUQH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.40
Rot. Bonds3

About propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate

propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate (PubChem CID 66835544) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate
PubChem CID66835544
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namepropan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1
InChIInChI=1S/C18H23NO2/c1-12(2)21-18(20)14-8-9-15-16(13-6-4-5-7-13)11-19(3)17(15)10-14/h8-13H,4-7H2,1-3H3
InChIKeyUQQPAWZVYVDUQH-UHFFFAOYSA-N
XLogP4.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate?
The IUPAC name of propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate (CID 66835544) is propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate.
What is the SMILES notation for propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate?
The canonical SMILES for propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate is CC(C)OC(=O)c1ccc2c(C3CCCC3)cn(C)c2c1.
What is the InChIKey of propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate?
The InChIKey is UQQPAWZVYVDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12(2)21-18(20)14-8-9-15-16(13-6-4-5-7-13)11-19(3)17(15)10-14/h8-13H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate?
propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-cyclopentyl-1-methylindole-6-carboxylate is sourced from PubChem (CID 66835544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).