(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate

C16H27NO2 — CID 170530279

IUPAC(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate
SMILESCC1(OC(=O)N2CCCC23CCCCC3)CCCC1
InChIInChI=1S/C16H27NO2/c1-15(8-5-6-9-15)19-14(18)17-13-7-12-16(17)10-3-2-4-11-16/h2-13H2,1H3
InChIKeyVRROJSAFTOHMPY-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.25
Rot. Bonds1

About (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate

(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 170530279) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate
PubChem CID170530279
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate
SMILESCC1(OC(=O)N2CCCC23CCCCC3)CCCC1
InChIInChI=1S/C16H27NO2/c1-15(8-5-6-9-15)19-14(18)17-13-7-12-16(17)10-3-2-4-11-16/h2-13H2,1H3
InChIKeyVRROJSAFTOHMPY-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methylcycloundecyl) 4,4-dimethylazepane-1-carboxylate
CID 155468911
bis(1-methylcyclohexyl) oxalate
CID 154101354
(1-methylcyclohexyl) acetate;propane
CID 143035856
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
methyl (1-methylcycloheptyl) carbonate
CID 172553116
5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
1-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxa-1-azaspiro[4.4]nonane-8-carboxylic acid
CID 175669317
tert-butyl 8-oxo-1,9-diazaspiro[4.6]undecane-1-carboxylate
CID 130765018
(1-methylcyclohexyl) 2,3,3-trimethyl-2-(trifluoromethyl)butanoate
CID 154539206
(1-methylcyclobutyl) acetate
CID 13396130
tert-butyl 8-oxo-1-azaspiro[4.4]nonane-1-carboxylate
CID 135395018

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate (CID 170530279) is (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate is CC1(OC(=O)N2CCCC23CCCCC3)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is VRROJSAFTOHMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(8-5-6-9-15)19-14(18)17-13-7-12-16(17)10-3-2-4-11-16/h2-13H2,1H3.
What are the key properties of (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate?
(1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 170530279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).