ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene

C12H19NO2 — CID 145336115

IUPACethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene
SMILESC=CC.C=CC1=C(C)C(=O)NC1=O.CC
InChIInChI=1S/C7H7NO2.C3H6.C2H6/c1-3-5-4(2)6(9)8-7(5)10;1-3-2;1-2/h3H,1H2,2H3,(H,8,9,10);3H,1H2,2H3;1-2H3
InChIKeyNVEXTWPPJKBXLY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.36
Rot. Bonds1

About ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene

ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene (PubChem CID 145336115) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene.

Molecular Properties

Compound Nameethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene
PubChem CID145336115
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene
SMILESC=CC.C=CC1=C(C)C(=O)NC1=O.CC
InChIInChI=1S/C7H7NO2.C3H6.C2H6/c1-3-5-4(2)6(9)8-7(5)10;1-3-2;1-2/h3H,1H2,2H3,(H,8,9,10);3H,1H2,2H3;1-2H3
InChIKeyNVEXTWPPJKBXLY-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2,5-dioxopyrrole-3-carbaldehyde
CID 130737483
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;dihydrochloride
CID 127253083
3-[2-[[3-(2-carboxylatoethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
CID 7067843
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 143089748
ethene;3-[(E)-2-fluorobut-1-en-3-ynyl]-4-methylpyrrole-2,5-dione;(Z)-3-methylhex-2-ene
CID 142133460
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
ethane;3-ethenyl-2,4,5,7,7-pentamethylcyclohepta-1,3,5-triene;N-methylmethanamine
CID 142394283
2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
CID 139417142
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
CID 6508737
2-aminopropanoic acid;3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
CID 70180955
4-ethenyl-3-ethyl-2-methyl-1,2-dihydropyrrol-5-one
CID 123297761

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene?
The IUPAC name of ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene (CID 145336115) is ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene.
What is the SMILES notation for ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene?
The canonical SMILES for ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene is C=CC.C=CC1=C(C)C(=O)NC1=O.CC.
What is the InChIKey of ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene?
The InChIKey is NVEXTWPPJKBXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C3H6.C2H6/c1-3-5-4(2)6(9)8-7(5)10;1-3-2;1-2/h3H,1H2,2H3,(H,8,9,10);3H,1H2,2H3;1-2H3.
What are the key properties of ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene?
ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene has a molecular weight of 209.29 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-4-methylpyrrole-2,5-dione;prop-1-ene is sourced from PubChem (CID 145336115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).