1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile

C13H13FN2 — CID 83065299

IUPAC1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(NC2CC2)CCc2c(F)cccc21
InChIInChI=1S/C13H13FN2/c14-12-3-1-2-11-10(12)6-7-13(11,8-15)16-9-4-5-9/h1-3,9,16H,4-7H2
InChIKeyKSRUTFLUMCDHKY-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.24
Rot. Bonds2

About 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile

1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile (PubChem CID 83065299) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
PubChem CID83065299
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile
SMILESN#CC1(NC2CC2)CCc2c(F)cccc21
InChIInChI=1S/C13H13FN2/c14-12-3-1-2-11-10(12)6-7-13(11,8-15)16-9-4-5-9/h1-3,9,16H,4-7H2
InChIKeyKSRUTFLUMCDHKY-UHFFFAOYSA-N
XLogP2.24
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile (CID 83065299) is 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile is N#CC1(NC2CC2)CCc2c(F)cccc21.
What is the InChIKey of 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
The InChIKey is KSRUTFLUMCDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-12-3-1-2-11-10(12)6-7-13(11,8-15)16-9-4-5-9/h1-3,9,16H,4-7H2.
What are the key properties of 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile?
1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile has a molecular weight of 216.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-4-fluoro-2,3-dihydroindene-1-carbonitrile is sourced from PubChem (CID 83065299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).