2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile

C17H20N2O — CID 79123783

IUPAC2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(C2(O)CCN(C3CC3)C2)Cc2ccccc2C1
InChIInChI=1S/C17H20N2O/c18-11-16(9-13-3-1-2-4-14(13)10-16)17(20)7-8-19(12-17)15-5-6-15/h1-4,15,20H,5-10,12H2
InChIKeyVAQSIZHYPQVLGZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.89
Rot. Bonds2

About 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile

2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79123783) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79123783
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(C2(O)CCN(C3CC3)C2)Cc2ccccc2C1
InChIInChI=1S/C17H20N2O/c18-11-16(9-13-3-1-2-4-14(13)10-16)17(20)7-8-19(12-17)15-5-6-15/h1-4,15,20H,5-10,12H2
InChIKeyVAQSIZHYPQVLGZ-UHFFFAOYSA-N
XLogP1.89
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile (CID 79123783) is 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile is N#CC1(C2(O)CCN(C3CC3)C2)Cc2ccccc2C1.
What is the InChIKey of 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is VAQSIZHYPQVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-11-16(9-13-3-1-2-4-14(13)10-16)17(20)7-8-19(12-17)15-5-6-15/h1-4,15,20H,5-10,12H2.
What are the key properties of 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile?
2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-3-hydroxypyrrolidin-3-yl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79123783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).