ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C12H19NO — CID 142310107

IUPACethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)CN(C)C1=O.CC
InChIInChI=1S/C10H13NO.C2H6/c1-4-6-8-7-11(3)10(12)9(8)5-2;1-2/h4-6H,2,7H2,1,3H3;1-2H3/b6-4-;
InChIKeyOZTJHXMQIGLPRS-YHSAGPEESA-N
MW193.29 g/mol
LogP2.54
Rot. Bonds2

About ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 142310107) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Nameethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID142310107
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC=CC1=C(/C=C\C)CN(C)C1=O.CC
InChIInChI=1S/C10H13NO.C2H6/c1-4-6-8-7-11(3)10(12)9(8)5-2;1-2/h4-6H,2,7H2,1,3H3;1-2H3/b6-4-;
InChIKeyOZTJHXMQIGLPRS-YHSAGPEESA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 142310107) is ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C=CC1=C(/C=C\C)CN(C)C1=O.CC.
What is the InChIKey of ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is OZTJHXMQIGLPRS-YHSAGPEESA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-4-6-8-7-11(3)10(12)9(8)5-2;1-2/h4-6H,2,7H2,1,3H3;1-2H3/b6-4-;.
What are the key properties of ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 193.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 142310107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).