3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole

C15H21NO — CID 106986010

IUPAC3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CC1CCCC1)CN2
InChIInChI=1S/C15H21NO/c1-17-13-6-7-15-14(9-13)12(10-16-15)8-11-4-2-3-5-11/h6-7,9,11-12,16H,2-5,8,10H2,1H3
InChIKeyJFCZDFQDYUSNOL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.78
Rot. Bonds3

About 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole

3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole (PubChem CID 106986010) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
PubChem CID106986010
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CC1CCCC1)CN2
InChIInChI=1S/C15H21NO/c1-17-13-6-7-15-14(9-13)12(10-16-15)8-11-4-2-3-5-11/h6-7,9,11-12,16H,2-5,8,10H2,1H3
InChIKeyJFCZDFQDYUSNOL-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole (CID 106986010) is 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole is COc1ccc2c(c1)C(CC1CCCC1)CN2.
What is the InChIKey of 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole?
The InChIKey is JFCZDFQDYUSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-13-6-7-15-14(9-13)12(10-16-15)8-11-4-2-3-5-11/h6-7,9,11-12,16H,2-5,8,10H2,1H3.
What are the key properties of 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole?
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole has a molecular weight of 231.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).