3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile

C17H21NO — CID 79129142

IUPAC3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)Cc3ccccc3C2)C1
InChIInChI=1S/C17H21NO/c1-2-13-7-8-16(9-13,12-18)17(19)10-14-5-3-4-6-15(14)11-17/h3-6,13,19H,2,7-11H2,1H3
InChIKeyRMPMJMQJXHLOMX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.24
Rot. Bonds2

About 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile

3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile (PubChem CID 79129142) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
PubChem CID79129142
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)Cc3ccccc3C2)C1
InChIInChI=1S/C17H21NO/c1-2-13-7-8-16(9-13,12-18)17(19)10-14-5-3-4-6-15(14)11-17/h3-6,13,19H,2,7-11H2,1H3
InChIKeyRMPMJMQJXHLOMX-UHFFFAOYSA-N
XLogP3.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile (CID 79129142) is 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C2(O)Cc3ccccc3C2)C1.
What is the InChIKey of 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile?
The InChIKey is RMPMJMQJXHLOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-13-7-8-16(9-13,12-18)17(19)10-14-5-3-4-6-15(14)11-17/h3-6,13,19H,2,7-11H2,1H3.
What are the key properties of 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile?
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile has a molecular weight of 255.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79129142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).