4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one

C15H16ClNO3 — CID 71049089

IUPAC4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc(C)c1C1=C(O)CN(C2CC2)C1=O
InChIInChI=1S/C15H16ClNO3/c1-8-5-9(16)6-12(20-2)13(8)14-11(18)7-17(15(14)19)10-3-4-10/h5-6,10,18H,3-4,7H2,1-2H3
InChIKeyWPBJRPDNOPAZLV-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.93
Rot. Bonds3

About 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one

4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one (PubChem CID 71049089) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one
PubChem CID71049089
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc(C)c1C1=C(O)CN(C2CC2)C1=O
InChIInChI=1S/C15H16ClNO3/c1-8-5-9(16)6-12(20-2)13(8)14-11(18)7-17(15(14)19)10-3-4-10/h5-6,10,18H,3-4,7H2,1-2H3
InChIKeyWPBJRPDNOPAZLV-UHFFFAOYSA-N
XLogP2.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one (CID 71049089) is 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one is COc1cc(Cl)cc(C)c1C1=C(O)CN(C2CC2)C1=O.
What is the InChIKey of 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one?
The InChIKey is WPBJRPDNOPAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-8-5-9(16)6-12(20-2)13(8)14-11(18)7-17(15(14)19)10-3-4-10/h5-6,10,18H,3-4,7H2,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one?
4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one has a molecular weight of 293.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-6-methylphenyl)-1-cyclopropyl-3-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 71049089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).