2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane

C18H25ClN2 — CID 102849461

IUPAC2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
SMILESClc1ccc2c(c1)CCC2N1CCCC2(CCCNC2)C1
InChIInChI=1S/C18H25ClN2/c19-15-4-5-16-14(11-15)3-6-17(16)21-10-2-8-18(13-21)7-1-9-20-12-18/h4-5,11,17,20H,1-3,6-10,12-13H2
InChIKeyQLRBYYZOCXGOMW-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.79
Rot. Bonds1

About 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane

2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102849461) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
PubChem CID102849461
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC Name2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane
SMILESClc1ccc2c(c1)CCC2N1CCCC2(CCCNC2)C1
InChIInChI=1S/C18H25ClN2/c19-15-4-5-16-14(11-15)3-6-17(16)21-10-2-8-18(13-21)7-1-9-20-12-18/h4-5,11,17,20H,1-3,6-10,12-13H2
InChIKeyQLRBYYZOCXGOMW-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane (CID 102849461) is 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane is Clc1ccc2c(c1)CCC2N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is QLRBYYZOCXGOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c19-15-4-5-16-14(11-15)3-6-17(16)21-10-2-8-18(13-21)7-1-9-20-12-18/h4-5,11,17,20H,1-3,6-10,12-13H2.
What are the key properties of 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane?
2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 304.86 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).