ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione

C9H13NO3 — CID 160778242

IUPACethene;1-(3-hydroxypropyl)pyrrole-2,5-dione
SMILESC=C.O=C1C=CC(=O)N1CCCO
InChIInChI=1S/C7H9NO3.C2H4/c9-5-1-4-8-6(10)2-3-7(8)11;1-2/h2-3,9H,1,4-5H2;1-2H2
InChIKeySAFTVYZQRYKCHL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.10
Rot. Bonds3

About ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione

ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione (PubChem CID 160778242) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Nameethene;1-(3-hydroxypropyl)pyrrole-2,5-dione
PubChem CID160778242
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethene;1-(3-hydroxypropyl)pyrrole-2,5-dione
SMILESC=C.O=C1C=CC(=O)N1CCCO
InChIInChI=1S/C7H9NO3.C2H4/c9-5-1-4-8-6(10)2-3-7(8)11;1-2/h2-3,9H,1,4-5H2;1-2H2
InChIKeySAFTVYZQRYKCHL-UHFFFAOYSA-N
XLogP0.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methylolmaleimide
CID 227678
N-(2-Hydroxyethyl)maleimide
CID 458487
1-(3-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 22177285
N-(2,3-dihydroxypropyl) maleimide
CID 54156412
6-Maleimido-1-hexanol
CID 12193799
N-(5-hydroxypentyl)maleimide
CID 18368754
1-(2,2-Difluoro-3-hydroxypropyl)pyrrole-2,5-dione
CID 106172600
Ethenoxyethene;1-(hydroxymethyl)pyrrole-2,5-dione
CID 287860
1-(3,3-Dihydroxypropyl)pyrrole-2,5-dione
CID 5255719
1-(3-Methoxypropyl)pyrrole-2,5-dione
CID 19421215
N-(3-hydroxypropyl)-N-methylprop-2-enamide
CID 20318661
1-(4-Hydroxybutan-2-yl)pyrrole-2,5-dione
CID 20437108

Frequently Asked Questions

What is the IUPAC name of ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione?
The IUPAC name of ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione (CID 160778242) is ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione?
The canonical SMILES for ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione is C=C.O=C1C=CC(=O)N1CCCO.
What is the InChIKey of ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione?
The InChIKey is SAFTVYZQRYKCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.C2H4/c9-5-1-4-8-6(10)2-3-7(8)11;1-2/h2-3,9H,1,4-5H2;1-2H2.
What are the key properties of ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione?
ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(3-hydroxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 160778242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).