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

C7H9NO2 — CID 19982626

IUPAC3-prop-2-enoxy-1,2-dihydropyrrol-5-one
SMILESC=CCOC1=CC(=O)NC1
InChIInChI=1S/C7H9NO2/c1-2-3-10-6-4-7(9)8-5-6/h2,4H,1,3,5H2,(H,8,9)
InChIKeyZYCMNJBSEMQXSF-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.20
Rot. Bonds3

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

3-prop-2-enoxy-1,2-dihydropyrrol-5-one (PubChem CID 19982626) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-prop-2-enoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-prop-2-enoxy-1,2-dihydropyrrol-5-one
PubChem CID19982626
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-prop-2-enoxy-1,2-dihydropyrrol-5-one
SMILESC=CCOC1=CC(=O)NC1
InChIInChI=1S/C7H9NO2/c1-2-3-10-6-4-7(9)8-5-6/h2,4H,1,3,5H2,(H,8,9)
InChIKeyZYCMNJBSEMQXSF-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.20
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
4-Ethoxy-3-pyrrolin-2-one
CID 15007584
3-(3-Bromopropoxy)-1,2-dihydropyrrol-5-one
CID 19982531
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-Propan-2-yloxy-1,2-dihydropyrrol-5-one
CID 19982679
Ethane;3-prop-2-enoxy-1,2-dihydropyrrol-5-one
CID 142849280
2,3-Dimethoxy-1,2-dihydropyrrol-5-one
CID 13310793

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-prop-2-enoxy-1,2-dihydropyrrol-5-one (CID 19982626) is 3-prop-2-enoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-prop-2-enoxy-1,2-dihydropyrrol-5-one is C=CCOC1=CC(=O)NC1.
What is the InChIKey of 3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
The InChIKey is ZYCMNJBSEMQXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-10-6-4-7(9)8-5-6/h2,4H,1,3,5H2,(H,8,9).
What are the key properties of 3-prop-2-enoxy-1,2-dihydropyrrol-5-one?
3-prop-2-enoxy-1,2-dihydropyrrol-5-one has a molecular weight of 139.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).