4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

C14H21NO — CID 89435844

IUPAC4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC/C=C\C1=C(C2C(C)CC2C)C(=O)N(C)C1
InChIInChI=1S/C14H21NO/c1-5-6-11-8-15(4)14(16)13(11)12-9(2)7-10(12)3/h5-6,9-10,12H,7-8H2,1-4H3/b6-5-
InChIKeyNXIBFOPWQBIJNZ-WAYWQWQTSA-N
MW219.33 g/mol
LogP2.62
Rot. Bonds2

About 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (PubChem CID 89435844) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
PubChem CID89435844
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one
SMILESC/C=C\C1=C(C2C(C)CC2C)C(=O)N(C)C1
InChIInChI=1S/C14H21NO/c1-5-6-11-8-15(4)14(16)13(11)12-9(2)7-10(12)3/h5-6,9-10,12H,7-8H2,1-4H3/b6-5-
InChIKeyNXIBFOPWQBIJNZ-WAYWQWQTSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The IUPAC name of 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one (CID 89435844) is 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one.
What is the SMILES notation for 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The canonical SMILES for 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is C/C=C\C1=C(C2C(C)CC2C)C(=O)N(C)C1.
What is the InChIKey of 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
The InChIKey is NXIBFOPWQBIJNZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-6-11-8-15(4)14(16)13(11)12-9(2)7-10(12)3/h5-6,9-10,12H,7-8H2,1-4H3/b6-5-.
What are the key properties of 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one?
4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one has a molecular weight of 219.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylcyclobutyl)-1-methyl-3-[(Z)-prop-1-enyl]-2H-pyrrol-5-one is sourced from PubChem (CID 89435844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).