ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane

C11H23NO2 — CID 143943100

IUPACethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane
SMILESCC.CC(C)C.COC1=CC(=O)NC1
InChIInChI=1S/C5H7NO2.C4H10.C2H6/c1-8-4-2-5(7)6-3-4;1-4(2)3;1-2/h2H,3H2,1H3,(H,6,7);4H,1-3H3;1-2H3
InChIKeyYSZBVSKVPPDIQL-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.34
Rot. Bonds1

About ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane

ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane (PubChem CID 143943100) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane.

Molecular Properties

Compound Nameethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane
PubChem CID143943100
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane
SMILESCC.CC(C)C.COC1=CC(=O)NC1
InChIInChI=1S/C5H7NO2.C4H10.C2H6/c1-8-4-2-5(7)6-3-4;1-4(2)3;1-2/h2H,3H2,1H3,(H,6,7);4H,1-3H3;1-2H3
InChIKeyYSZBVSKVPPDIQL-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,5-dihydro-1H-pyrrol-2-one
CID 574769
3,4-dihydro-7-methyl-1,4-oxazepin-5(2H)-one
CID 11970430
4-Ethoxy-3-pyrrolin-2-one
CID 15007584
3-[(2-Methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
CID 19982537
4-n-Propoxy-3-pyrrolin-2-one
CID 19982613
3-(2-Methylpropoxy)-1,2-dihydropyrrol-5-one
CID 19982620
3-Pentoxy-1,2-dihydropyrrol-5-one
CID 19982656
4-Butoxy-1H-pyrrol-2(5H)-one
CID 19982660
3-Hexoxy-1,2-dihydropyrrol-5-one
CID 19982667
3-Propan-2-yloxy-1,2-dihydropyrrol-5-one
CID 19982679
3-methyl-N-(2-propan-2-yloxyethyl)but-2-enamide
CID 58065310
N-(2-methoxyethyl)-3-methylbut-2-enamide
CID 84367842

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane?
The IUPAC name of ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane (CID 143943100) is ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane.
What is the SMILES notation for ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane?
The canonical SMILES for ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane is CC.CC(C)C.COC1=CC(=O)NC1.
What is the InChIKey of ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane?
The InChIKey is YSZBVSKVPPDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C4H10.C2H6/c1-8-4-2-5(7)6-3-4;1-4(2)3;1-2/h2H,3H2,1H3,(H,6,7);4H,1-3H3;1-2H3.
What are the key properties of ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane?
ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane has a molecular weight of 201.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-1,2-dihydropyrrol-5-one;2-methylpropane is sourced from PubChem (CID 143943100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).