2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one

C13H18N2O3 — CID 102026625

IUPAC2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one
SMILESCCn1cccc1C[C@@H](C)C(=O)N1OCCC1=O
InChIInChI=1S/C13H18N2O3/c1-3-14-7-4-5-11(14)9-10(2)13(17)15-12(16)6-8-18-15/h4-5,7,10H,3,6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyUQSYSIUXTBSOIY-SNVBAGLBSA-N
MW250.30 g/mol
LogP1.38
Rot. Bonds4

About 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one

2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one (PubChem CID 102026625) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one
PubChem CID102026625
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one
SMILESCCn1cccc1C[C@@H](C)C(=O)N1OCCC1=O
InChIInChI=1S/C13H18N2O3/c1-3-14-7-4-5-11(14)9-10(2)13(17)15-12(16)6-8-18-15/h4-5,7,10H,3,6,8-9H2,1-2H3/t10-/m1/s1
InChIKeyUQSYSIUXTBSOIY-SNVBAGLBSA-N
XLogP1.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 75504185
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CID 25177987
CID 25177987
CID 102026619
CID 102026619
CID 102026620
CID 102026620
CID 102026622
CID 102026622
CID 102026623
CID 102026623
CID 102026624
CID 102026624
CID 134831798
CID 134831798
CID 134941538
CID 134941538
CID 134941576
CID 134941576
CID 134941593
CID 134941593

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one (CID 102026625) is 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one is CCn1cccc1C[C@@H](C)C(=O)N1OCCC1=O.
What is the InChIKey of 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
The InChIKey is UQSYSIUXTBSOIY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-7-4-5-11(14)9-10(2)13(17)15-12(16)6-8-18-15/h4-5,7,10H,3,6,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one?
2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one has a molecular weight of 250.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(1-ethylpyrrol-2-yl)-2-methylpropanoyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 102026625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).