5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile

C15H17ClN2 — CID 113291823

IUPAC5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(NC2CCCC2)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H17ClN2/c16-13-6-5-11-8-15(10-17,9-12(11)7-13)18-14-3-1-2-4-14/h5-7,14,18H,1-4,8-9H2
InChIKeyULUBDNGUGXQXKD-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile

5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile (PubChem CID 113291823) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile
PubChem CID113291823
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(NC2CCCC2)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H17ClN2/c16-13-6-5-11-8-15(10-17,9-12(11)7-13)18-14-3-1-2-4-14/h5-7,14,18H,1-4,8-9H2
InChIKeyULUBDNGUGXQXKD-UHFFFAOYSA-N
XLogP3.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile (CID 113291823) is 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile is N#CC1(NC2CCCC2)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is ULUBDNGUGXQXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-13-6-5-11-8-15(10-17,9-12(11)7-13)18-14-3-1-2-4-14/h5-7,14,18H,1-4,8-9H2.
What are the key properties of 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile?
5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 260.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopentylamino)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 113291823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).