4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride

C17H25ClN2O — CID 120562983

IUPAC4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CC2(CCCC2)c2ccccc21.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-13(18)8-9-16(20)19-12-17(10-4-5-11-17)14-6-2-3-7-15(14)19;/h2-3,6-7,13H,4-5,8-12,18H2,1H3;1H
InChIKeyCSFHXRLPIDVNPB-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.39
Rot. Bonds3

About 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride

4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride (PubChem CID 120562983) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
PubChem CID120562983
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
SMILESCC(N)CCC(=O)N1CC2(CCCC2)c2ccccc21.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-13(18)8-9-16(20)19-12-17(10-4-5-11-17)14-6-2-3-7-15(14)19;/h2-3,6-7,13H,4-5,8-12,18H2,1H3;1H
InChIKeyCSFHXRLPIDVNPB-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride (CID 120562983) is 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride is CC(N)CCC(=O)N1CC2(CCCC2)c2ccccc21.Cl.
What is the InChIKey of 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride?
The InChIKey is CSFHXRLPIDVNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-13(18)8-9-16(20)19-12-17(10-4-5-11-17)14-6-2-3-7-15(14)19;/h2-3,6-7,13H,4-5,8-12,18H2,1H3;1H.
What are the key properties of 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride?
4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 120562983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).