(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone

C13H24N2O — CID 115747636

IUPAC(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)C2(C)CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-3-5-11-6-9-15(10-11)12(16)13(2)7-4-8-14-13/h11,14H,3-10H2,1-2H3
InChIKeyKFCKCHAYZJNMIP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone

(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone (PubChem CID 115747636) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone
PubChem CID115747636
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)C2(C)CCCN2)C1
InChIInChI=1S/C13H24N2O/c1-3-5-11-6-9-15(10-11)12(16)13(2)7-4-8-14-13/h11,14H,3-10H2,1-2H3
InChIKeyKFCKCHAYZJNMIP-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975090
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
azepan-1-yl-(3-propylpyrrolidin-1-yl)methanone
CID 116657830
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
(3-hydroxyazetidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 107217478
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
CID 104678660
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
3-propylpiperidine-1-carboxamide
CID 18466872
2-cyclopropylethyl 2-methylpyrrolidine-2-carboxylate
CID 106202469
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone (CID 115747636) is (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone is CCCC1CCN(C(=O)C2(C)CCCN2)C1.
What is the InChIKey of (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
The InChIKey is KFCKCHAYZJNMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-11-6-9-15(10-11)12(16)13(2)7-4-8-14-13/h11,14H,3-10H2,1-2H3.
What are the key properties of (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone?
(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 115747636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).