1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol

C17H23NO — CID 115106495

IUPAC1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
SMILESCC(O)Cc1cccc2ccn(CC3CCCC3)c12
InChIInChI=1S/C17H23NO/c1-13(19)11-16-8-4-7-15-9-10-18(17(15)16)12-14-5-2-3-6-14/h4,7-10,13-14,19H,2-3,5-6,11-12H2,1H3
InChIKeyKTHHNWYQPHITDD-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.75
Rot. Bonds4

About 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol

1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol (PubChem CID 115106495) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
PubChem CID115106495
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
SMILESCC(O)Cc1cccc2ccn(CC3CCCC3)c12
InChIInChI=1S/C17H23NO/c1-13(19)11-16-8-4-7-15-9-10-18(17(15)16)12-14-5-2-3-6-14/h4,7-10,13-14,19H,2-3,5-6,11-12H2,1H3
InChIKeyKTHHNWYQPHITDD-UHFFFAOYSA-N
XLogP3.75
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol?
The IUPAC name of 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol (CID 115106495) is 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol?
The canonical SMILES for 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol is CC(O)Cc1cccc2ccn(CC3CCCC3)c12.
What is the InChIKey of 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol?
The InChIKey is KTHHNWYQPHITDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(19)11-16-8-4-7-15-9-10-18(17(15)16)12-14-5-2-3-6-14/h4,7-10,13-14,19H,2-3,5-6,11-12H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol?
1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol is sourced from PubChem (CID 115106495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).