2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone

C20H32N2O2 — CID 155871416

IUPAC2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC2(CC1)CCN(C(=O)C1CC1)CC2)N1CCCC1
InChIInChI=1S/C20H32N2O2/c23-18(21-11-1-2-12-21)15-16-5-7-20(8-6-16)9-13-22(14-10-20)19(24)17-3-4-17/h16-17H,1-15H2
InChIKeyRGRWSOICODXCSA-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.21
Rot. Bonds3

About 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone

2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 155871416) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
PubChem CID155871416
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCC2(CC1)CCN(C(=O)C1CC1)CC2)N1CCCC1
InChIInChI=1S/C20H32N2O2/c23-18(21-11-1-2-12-21)15-16-5-7-20(8-6-16)9-13-22(14-10-20)19(24)17-3-4-17/h16-17H,1-15H2
InChIKeyRGRWSOICODXCSA-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propan-2-yl-3-azaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylethanone
CID 155880003
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
2-[3-(cyclohexylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155872635
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
2-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 119735026
1-piperidin-1-yl-2-(thian-4-yl)ethanone
CID 71917750
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
2-(4-aminocyclohexyl)-1-piperidin-1-ylethanone;hydrochloride
CID 165412274

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone (CID 155871416) is 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCC2(CC1)CCN(C(=O)C1CC1)CC2)N1CCCC1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RGRWSOICODXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c23-18(21-11-1-2-12-21)15-16-5-7-20(8-6-16)9-13-22(14-10-20)19(24)17-3-4-17/h16-17H,1-15H2.
What are the key properties of 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 332.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 155871416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).