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

C11H19NO — CID 142310135

IUPAC1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane
SMILESC/C=C\C1=C(C)C(=O)N(C)C1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-5-8-6-10(3)9(11)7(8)2;1-2/h4-5H,6H2,1-3H3;1-2H3/b5-4-;
InChIKeyXOARVVYQGCKOQO-MKWAYWHRSA-N
MW181.28 g/mol
LogP2.38
Rot. Bonds1

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

1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane (PubChem CID 142310135) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane.

Molecular Properties

Compound Name1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane
PubChem CID142310135
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane
SMILESC/C=C\C1=C(C)C(=O)N(C)C1.CC
InChIInChI=1S/C9H13NO.C2H6/c1-4-5-8-6-10(3)9(11)7(8)2;1-2/h4-5H,6H2,1-3H3;1-2H3/b5-4-;
InChIKeyXOARVVYQGCKOQO-MKWAYWHRSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
The IUPAC name of 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane (CID 142310135) is 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane.
What is the SMILES notation for 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
The canonical SMILES for 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane is C/C=C\C1=C(C)C(=O)N(C)C1.CC.
What is the InChIKey of 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
The InChIKey is XOARVVYQGCKOQO-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-4-5-8-6-10(3)9(11)7(8)2;1-2/h4-5H,6H2,1-3H3;1-2H3/b5-4-;.
What are the key properties of 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane?
1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one;ethane is sourced from PubChem (CID 142310135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).