bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C11H20N2O3 — CID 150880281

IUPACbis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C11H20N2O3/c1-10(15)3-5-12(7-10)9(14)13-6-4-11(2,16)8-13/h15-16H,3-8H2,1-2H3
InChIKeyKVWDECNAVRMHON-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.02
Rot. Bonds

About bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 150880281) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namebis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID150880281
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namebis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C11H20N2O3/c1-10(15)3-5-12(7-10)9(14)13-6-4-11(2,16)8-13/h15-16H,3-8H2,1-2H3
InChIKeyKVWDECNAVRMHON-UHFFFAOYSA-N
XLogP0.02
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103727843
ethane;1-[4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 178147929
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355859
2-chloro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103881681
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(E)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-methylsulfanylprop-2-en-1-one
CID 131245261
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 103355715
1-(3-hydroxy-3-methylpyrrolidin-1-yl)hexa-2,4-dien-1-one
CID 103745642
1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 103356137
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 103726885

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 150880281) is bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)N2CCC(C)(O)C2)C1.
What is the InChIKey of bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is KVWDECNAVRMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(15)3-5-12(7-10)9(14)13-6-4-11(2,16)8-13/h15-16H,3-8H2,1-2H3.
What are the key properties of bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 150880281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).