pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone

C15H26N2O — CID 125474044

IUPACpyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
SMILESO=C([C@@H]1CCCC[C@H]1N1CCCC1)N1CCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-11-5-6-12-17)13-7-1-2-8-14(13)16-9-3-4-10-16/h13-14H,1-12H2/t13-,14-/m1/s1
InChIKeyACNLORUZHFFDDZ-ZIAGYGMSSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds2

About pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone

pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone (PubChem CID 125474044) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
PubChem CID125474044
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Namepyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
SMILESO=C([C@@H]1CCCC[C@H]1N1CCCC1)N1CCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-11-5-6-12-17)13-7-1-2-8-14(13)16-9-3-4-10-16/h13-14H,1-12H2/t13-,14-/m1/s1
InChIKeyACNLORUZHFFDDZ-ZIAGYGMSSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

morpholin-4-yl-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474305
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-pyrrolidin-1-ylcyclohexane-1-carbohydrazide;hydrochloride
CID 21276976
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
cis-ethyl (1S,2R)-2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 12917208
pyrrolidin-1-yl-[(1S,2S)-2-(1,4-thiazepane-4-carbonyl)cyclohexyl]methanone
CID 96526393
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone (CID 125474044) is pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone is O=C([C@@H]1CCCC[C@H]1N1CCCC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone?
The InChIKey is ACNLORUZHFFDDZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(17-11-5-6-12-17)13-7-1-2-8-14(13)16-9-3-4-10-16/h13-14H,1-12H2/t13-,14-/m1/s1.
What are the key properties of pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone?
pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone has a molecular weight of 250.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone is sourced from PubChem (CID 125474044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).