3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol

C17H23NO — CID 19021493

IUPAC3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol
SMILESOc1cccc2c1CCC1C2CCN1C1CCCC1
InChIInChI=1S/C17H23NO/c19-17-7-3-6-13-14-10-11-18(12-4-1-2-5-12)16(14)9-8-15(13)17/h3,6-7,12,14,16,19H,1-2,4-5,8-11H2
InChIKeyFXBVLDAPRGPLOS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds1

About 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol

3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol (PubChem CID 19021493) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol.

Molecular Properties

Compound Name3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol
PubChem CID19021493
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol
SMILESOc1cccc2c1CCC1C2CCN1C1CCCC1
InChIInChI=1S/C17H23NO/c19-17-7-3-6-13-14-10-11-18(12-4-1-2-5-12)16(14)9-8-15(13)17/h3,6-7,12,14,16,19H,1-2,4-5,8-11H2
InChIKeyFXBVLDAPRGPLOS-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol?
The IUPAC name of 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol (CID 19021493) is 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol.
What is the SMILES notation for 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol?
The canonical SMILES for 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol is Oc1cccc2c1CCC1C2CCN1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol?
The InChIKey is FXBVLDAPRGPLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-7-3-6-13-14-10-11-18(12-4-1-2-5-12)16(14)9-8-15(13)17/h3,6-7,12,14,16,19H,1-2,4-5,8-11H2.
What are the key properties of 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol?
3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol has a molecular weight of 257.38 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-6-ol is sourced from PubChem (CID 19021493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).