(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone

C13H20N2O2 — CID 103357517

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C13H20N2O2/c1-3-7-14-8-4-5-11(14)12(16)15-9-6-13(2,17)10-15/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyXRSYEUSTOBEINH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.50
Rot. Bonds3

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone (PubChem CID 103357517) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
PubChem CID103357517
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone
SMILESCCCn1cccc1C(=O)N1CCC(C)(O)C1
InChIInChI=1S/C13H20N2O2/c1-3-7-14-8-4-5-11(14)12(16)15-9-6-13(2,17)10-15/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyXRSYEUSTOBEINH-UHFFFAOYSA-N
XLogP1.50
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096346
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977153
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone (CID 103357517) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone is CCCn1cccc1C(=O)N1CCC(C)(O)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
The InChIKey is XRSYEUSTOBEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-14-8-4-5-11(14)12(16)15-9-6-13(2,17)10-15/h4-5,8,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone has a molecular weight of 236.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1-propylpyrrol-2-yl)methanone is sourced from PubChem (CID 103357517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).