1-(cyclopentylmethyl)-5-propan-2-yloxyindole

C17H23NO — CID 116625784

IUPAC1-(cyclopentylmethyl)-5-propan-2-yloxyindole
SMILESCC(C)Oc1ccc2c(ccn2CC2CCCC2)c1
InChIInChI=1S/C17H23NO/c1-13(2)19-16-7-8-17-15(11-16)9-10-18(17)12-14-5-3-4-6-14/h7-11,13-14H,3-6,12H2,1-2H3
InChIKeyICMLXYKFNDTCEN-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.62
Rot. Bonds4

About 1-(cyclopentylmethyl)-5-propan-2-yloxyindole

1-(cyclopentylmethyl)-5-propan-2-yloxyindole (PubChem CID 116625784) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-propan-2-yloxyindole.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-propan-2-yloxyindole
PubChem CID116625784
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(cyclopentylmethyl)-5-propan-2-yloxyindole
SMILESCC(C)Oc1ccc2c(ccn2CC2CCCC2)c1
InChIInChI=1S/C17H23NO/c1-13(2)19-16-7-8-17-15(11-16)9-10-18(17)12-14-5-3-4-6-14/h7-11,13-14H,3-6,12H2,1-2H3
InChIKeyICMLXYKFNDTCEN-UHFFFAOYSA-N
XLogP4.62
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-propan-2-yloxyindole?
The IUPAC name of 1-(cyclopentylmethyl)-5-propan-2-yloxyindole (CID 116625784) is 1-(cyclopentylmethyl)-5-propan-2-yloxyindole.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-propan-2-yloxyindole?
The canonical SMILES for 1-(cyclopentylmethyl)-5-propan-2-yloxyindole is CC(C)Oc1ccc2c(ccn2CC2CCCC2)c1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-propan-2-yloxyindole?
The InChIKey is ICMLXYKFNDTCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)19-16-7-8-17-15(11-16)9-10-18(17)12-14-5-3-4-6-14/h7-11,13-14H,3-6,12H2,1-2H3.
What are the key properties of 1-(cyclopentylmethyl)-5-propan-2-yloxyindole?
1-(cyclopentylmethyl)-5-propan-2-yloxyindole has a molecular weight of 257.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-propan-2-yloxyindole is sourced from PubChem (CID 116625784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).