ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one

C9H15NO2 — CID 142849280

IUPACethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one
SMILESC=CCOC1=CC(=O)NC1.CC
InChIInChI=1S/C7H9NO2.C2H6/c1-2-3-10-6-4-7(9)8-5-6;1-2/h2,4H,1,3,5H2,(H,8,9);1-2H3
InChIKeyZSYLSOORXBHGJK-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.23
Rot. Bonds3

About ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one

ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one (PubChem CID 142849280) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Nameethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one
PubChem CID142849280
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one
SMILESC=CCOC1=CC(=O)NC1.CC
InChIInChI=1S/C7H9NO2.C2H6/c1-2-3-10-6-4-7(9)8-5-6;1-2/h2,4H,1,3,5H2,(H,8,9);1-2H3
InChIKeyZSYLSOORXBHGJK-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
3-But-3-enoxy-1,2-dihydropyrrol-5-one
CID 19982567
1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one
CID 71729798
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-Prop-2-enoxy-1,2-dihydropyrrol-5-one
CID 19982626
3-Pentoxy-1,2-dihydropyrrol-5-one
CID 19982656
4-Butoxy-1H-pyrrol-2(5H)-one
CID 19982660
3-Propan-2-yloxy-1,2-dihydropyrrol-5-one
CID 19982679

Frequently Asked Questions

What is the IUPAC name of ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one (CID 142849280) is ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one is C=CCOC1=CC(=O)NC1.CC.
What is the InChIKey of ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
The InChIKey is ZSYLSOORXBHGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-2-3-10-6-4-7(9)8-5-6;1-2/h2,4H,1,3,5H2,(H,8,9);1-2H3.
What are the key properties of ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 142849280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).