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'}

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Related Compounds

(3S,4R)-3-(2,3-dihydroindol-1-yl)-4-prop-2-enyloxan-4-ol
CID 178185674
cis-(1R,2R)-2-(2,3-dihydroindol-1-yl)-1-prop-2-ynylcyclopentan-1-ol
CID 178185596
tert-butyl (3S,4R)-3-(2,3-dihydroindol-1-yl)-4-hydroxy-4-prop-2-enylpiperidine-1-carboxylate
CID 178185675
1-(aminomethyl)-2-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]cyclopentan-1-ol
CID 79587545
1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
CID 11064422
(4aS)-1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5-dicarbonitrile
CID 40921499
(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
1-(4-acetyl-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinolin-4-yl)ethanone
CID 164667773
spiro[2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline-4,2'-cyclohexane]-1',3'-dione
CID 11380195
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
1-[(2R)-oxan-2-yl]-2,3-dihydroindole
CID 134858745
1-penta-1,2,4-trien-3-yl-2,3-dihydroindole
CID 145126142

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).