cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol

C16H19NO — CID 178185596

IUPACcis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol
SMILESC#CC[C@]1(O)CCC[C@H]1N1CCc2ccccc21
InChIInChI=1S/C16H19NO/c1-2-10-16(18)11-5-8-15(16)17-12-9-13-6-3-4-7-14(13)17/h1,3-4,6-7,15,18H,5,8-12H2/t15-,16+/m1/s1
InChIKeyVIIZYMULTHQANT-CVEARBPZSA-N
MW241.33 g/mol
LogP2.36
Rot. Bonds2

About cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol

cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol (PubChem CID 178185596) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol
PubChem CID178185596
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Namecis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol
SMILESC#CC[C@]1(O)CCC[C@H]1N1CCc2ccccc21
InChIInChI=1S/C16H19NO/c1-2-10-16(18)11-5-8-15(16)17-12-9-13-6-3-4-7-14(13)17/h1,3-4,6-7,15,18H,5,8-12H2/t15-,16+/m1/s1
InChIKeyVIIZYMULTHQANT-CVEARBPZSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol (CID 178185596) is cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol is C#CC[C@]1(O)CCC[C@H]1N1CCc2ccccc21.
What is the InChIKey of cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol?
The InChIKey is VIIZYMULTHQANT-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-10-16(18)11-5-8-15(16)17-12-9-13-6-3-4-7-14(13)17/h1,3-4,6-7,15,18H,5,8-12H2/t15-,16+/m1/s1.
What are the key properties of cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol?
cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol is sourced from PubChem (CID 178185596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).