cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate

C15H19NO2 — CID 113382406

IUPACcyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
SMILESO=C(OCC1CCCC1)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H19NO2/c17-15(18-10-11-3-1-2-4-11)13-6-5-12-7-8-16-14(12)9-13/h5-6,9,11,16H,1-4,7-8,10H2
InChIKeyPJLFQEJOHIDJLA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.00
Rot. Bonds3

About cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate

cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate (PubChem CID 113382406) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
PubChem CID113382406
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate
SMILESO=C(OCC1CCCC1)c1ccc2c(c1)NCC2
InChIInChI=1S/C15H19NO2/c17-15(18-10-11-3-1-2-4-11)13-6-5-12-7-8-16-14(12)9-13/h5-6,9,11,16H,1-4,7-8,10H2
InChIKeyPJLFQEJOHIDJLA-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate?
The IUPAC name of cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate (CID 113382406) is cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate.
What is the SMILES notation for cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate?
The canonical SMILES for cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate is O=C(OCC1CCCC1)c1ccc2c(c1)NCC2.
What is the InChIKey of cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate?
The InChIKey is PJLFQEJOHIDJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18-10-11-3-1-2-4-11)13-6-5-12-7-8-16-14(12)9-13/h5-6,9,11,16H,1-4,7-8,10H2.
What are the key properties of cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate?
cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2,3-dihydro-1H-indole-6-carboxylate is sourced from PubChem (CID 113382406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).