(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone

C12H22N2O — CID 115740808

IUPAC(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESCC(C)C1CCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H22N2O/c1-9(2)11-4-6-14(8-11)12(15)10-3-5-13-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyGPEGLQIANPRLAX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.10
Rot. Bonds2

About (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone

(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 115740808) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID115740808
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
SMILESCC(C)C1CCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H22N2O/c1-9(2)11-4-6-14(8-11)12(15)10-3-5-13-7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyGPEGLQIANPRLAX-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201689
azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 177134769
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 129496385

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone (CID 115740808) is (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone is CC(C)C1CCN(C(=O)C2CCNC2)C1.
What is the InChIKey of (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is GPEGLQIANPRLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)11-4-6-14(8-11)12(15)10-3-5-13-7-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone?
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 210.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 115740808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).