1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C15H26N2O4 — CID 81197204

IUPAC1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(20)17-6-4-5-12(17)13(19)16-7-8-21-11(9-16)10-18/h11-12,18H,4-10H2,1-3H3
InChIKeyWEDQSKTZOCDCCL-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.24
Rot. Bonds2

About 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 81197204) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID81197204
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(20)17-6-4-5-12(17)13(19)16-7-8-21-11(9-16)10-18/h11-12,18H,4-10H2,1-3H3
InChIKeyWEDQSKTZOCDCCL-UHFFFAOYSA-N
XLogP0.24
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184
3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 115426376
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
CID 107071792
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 81197204) is 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1C(=O)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WEDQSKTZOCDCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)14(20)17-6-4-5-12(17)13(19)16-7-8-21-11(9-16)10-18/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 298.38 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 81197204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).