4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one

C19H25NO2 — CID 15550915

IUPAC4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(C)C2C2=CCCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h7,9-12,17H,4-6,8,13H2,1-3H3
InChIKeyHIFAPCIJSDLWIF-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.93
Rot. Bonds4

About 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one

4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one (PubChem CID 15550915) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one
PubChem CID15550915
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C)(C)C2C2=CCCCC2)cc1
InChIInChI=1S/C19H25NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h7,9-12,17H,4-6,8,13H2,1-3H3
InChIKeyHIFAPCIJSDLWIF-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one?
The IUPAC name of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one (CID 15550915) is 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one is COc1ccc(CN2C(=O)C(C)(C)C2C2=CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one?
The InChIKey is HIFAPCIJSDLWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2)17(15-7-5-4-6-8-15)20(18(19)21)13-14-9-11-16(22-3)12-10-14/h7,9-12,17H,4-6,8,13H2,1-3H3.
What are the key properties of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one?
4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 15550915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).