(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone

C15H20N2O2 — CID 138031514

IUPAC(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCOc1cccc2c1CN(C(=O)C1NCC1(C)C)C2
InChIInChI=1S/C15H20N2O2/c1-15(2)9-16-13(15)14(18)17-7-10-5-4-6-12(19-3)11(10)8-17/h4-6,13,16H,7-9H2,1-3H3
InChIKeySIBKFVRHKQXTPS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds2

About (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone

(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 138031514) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
PubChem CID138031514
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone
SMILESCOc1cccc2c1CN(C(=O)C1NCC1(C)C)C2
InChIInChI=1S/C15H20N2O2/c1-15(2)9-16-13(15)14(18)17-7-10-5-4-6-12(19-3)11(10)8-17/h4-6,13,16H,7-9H2,1-3H3
InChIKeySIBKFVRHKQXTPS-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone (CID 138031514) is (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone is COc1cccc2c1CN(C(=O)C1NCC1(C)C)C2.
What is the InChIKey of (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is SIBKFVRHKQXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)9-16-13(15)14(18)17-7-10-5-4-6-12(19-3)11(10)8-17/h4-6,13,16H,7-9H2,1-3H3.
What are the key properties of (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone?
(3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-2-yl)-(4-methoxy-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 138031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).