cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol

C16H21NO — CID 178185671

IUPACcis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@@H]1N1CCc2ccccc21
InChIInChI=1S/C16H21NO/c1-2-10-16(18)11-5-8-15(16)17-12-9-13-6-3-4-7-14(13)17/h2-4,6-7,15,18H,1,5,8-12H2/t15-,16+/m0/s1
InChIKeyDQFNRARYNLAKNZ-JKSUJKDBSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds3

About cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol

cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol (PubChem CID 178185671) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol
PubChem CID178185671
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namecis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol
SMILESC=CC[C@@]1(O)CCC[C@@H]1N1CCc2ccccc21
InChIInChI=1S/C16H21NO/c1-2-10-16(18)11-5-8-15(16)17-12-9-13-6-3-4-7-14(13)17/h2-4,6-7,15,18H,1,5,8-12H2/t15-,16+/m0/s1
InChIKeyDQFNRARYNLAKNZ-JKSUJKDBSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-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-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol (CID 178185671) is cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol is C=CC[C@@]1(O)CCC[C@@H]1N1CCc2ccccc21.
What is the InChIKey of cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol?
The InChIKey is DQFNRARYNLAKNZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-10-16(18)11-5-8-15(16)17-12-9-13-6-3-4-7-14(13)17/h2-4,6-7,15,18H,1,5,8-12H2/t15-,16+/m0/s1.
What are the key properties of cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol?
cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(2,3-dihydroindol-1-yl)-1-prop-2-enylcyclopentan-1-ol is sourced from PubChem (CID 178185671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).