4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one

C10H15NO — CID 89079060

IUPAC4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC/C=C\C1=C(C)C(C)NC1=O
InChIInChI=1S/C10H15NO/c1-4-5-6-9-7(2)8(3)11-10(9)12/h5-6,8H,4H2,1-3H3,(H,11,12)/b6-5-
InChIKeyNENUUBQDSNPDOZ-WAYWQWQTSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one

4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one (PubChem CID 89079060) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one
PubChem CID89079060
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one
SMILESCC/C=C\C1=C(C)C(C)NC1=O
InChIInChI=1S/C10H15NO/c1-4-5-6-9-7(2)8(3)11-10(9)12/h5-6,8H,4H2,1-3H3,(H,11,12)/b6-5-
InChIKeyNENUUBQDSNPDOZ-WAYWQWQTSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12007567
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CID 13311389
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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one (CID 89079060) is 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one is CC/C=C\C1=C(C)C(C)NC1=O.
What is the InChIKey of 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one?
The InChIKey is NENUUBQDSNPDOZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-6-9-7(2)8(3)11-10(9)12/h5-6,8H,4H2,1-3H3,(H,11,12)/b6-5-.
What are the key properties of 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one?
4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one has a molecular weight of 165.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-2,3-dimethyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 89079060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).