methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride

C11H19Cl2NO2 — CID 170166743

IUPACmethyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCCCl)CCC2(CC2)N1.Cl
InChIInChI=1S/C11H18ClNO2.ClH/c1-15-9(14)11(3-2-8-12)7-6-10(13-11)4-5-10;/h13H,2-8H2,1H3;1H
InChIKeyFCZWFPUHLCVOLN-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.26
Rot. Bonds4

About methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride

methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride (PubChem CID 170166743) has the molecular formula C11H19Cl2NO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride
PubChem CID170166743
Molecular FormulaC11H19Cl2NO2
Molecular Weight268.18 g/mol
Exact Mass267.08
IUPAC Namemethyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCCCl)CCC2(CC2)N1.Cl
InChIInChI=1S/C11H18ClNO2.ClH/c1-15-9(14)11(3-2-8-12)7-6-10(13-11)4-5-10;/h13H,2-8H2,1H3;1H
InChIKeyFCZWFPUHLCVOLN-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(3-chloropropyl)-5-azaspiro[2.4]heptane-6-carboxylate
CID 168990878
methyl (2R,4S)-2-(3-chloropropyl)-4-fluoropyrrolidine-2-carboxylate
CID 165124295
methyl (1S,5S)-3-(3-chloropropyl)-2-azabicyclo[3.1.0]hexane-3-carboxylate
CID 167494800
methyl 2-(3-chloropropyl)-4-(difluoromethylidene)pyrrolidine-2-carboxylate
CID 166095886
methyl 2-hexylpyrrolidine-2-carboxylate
CID 123305776
methyl (2R)-2-(2-chloroethyl)-4,4-difluoropyrrolidine-2-carboxylate
CID 170992175
methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
methyl 1-(3-chloropropylsulfonylamino)cyclohexane-1-carboxylate
CID 107858831
methyl 2-(3-oxopropyl)pyrrolidine-2-carboxylate
CID 88978022
methyl 4,4-difluoro-2-(3-hydroxypropyl)pyrrolidine-2-carboxylate
CID 165123703
1-(4-chlorobutyl)cyclopentane-1-carboxylic acid;1-(4-methoxybutyl)cyclopentane-1-carboxylic acid;methyl 1-(4-chlorobutyl)cyclopentane-1-carboxylate
CID 162075070
bis[2-(3-chloropropyl)pyrrolidin-2-yl] oxalate
CID 174577819

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride (CID 170166743) is methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride is COC(=O)C1(CCCCl)CCC2(CC2)N1.Cl.
What is the InChIKey of methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride?
The InChIKey is FCZWFPUHLCVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2.ClH/c1-15-9(14)11(3-2-8-12)7-6-10(13-11)4-5-10;/h13H,2-8H2,1H3;1H.
What are the key properties of methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride?
methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride has a molecular weight of 268.18 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-chloropropyl)-4-azaspiro[2.4]heptane-5-carboxylate;hydrochloride is sourced from PubChem (CID 170166743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).