6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one

C24H20N2O2 — CID 134492515

IUPAC6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2Cc3ccc(-c4cccc5ccccc45)cc3C2=O)C1
InChIInChI=1S/C24H20N2O2/c1-2-23(27)25-14-19(15-25)26-13-18-11-10-17(12-22(18)24(26)28)21-9-5-7-16-6-3-4-8-20(16)21/h2-12,19H,1,13-15H2
InChIKeyGBYGCBQCCQMEOY-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.86
Rot. Bonds3

About 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one

6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one (PubChem CID 134492515) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
PubChem CID134492515
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2Cc3ccc(-c4cccc5ccccc45)cc3C2=O)C1
InChIInChI=1S/C24H20N2O2/c1-2-23(27)25-14-19(15-25)26-13-18-11-10-17(12-22(18)24(26)28)21-9-5-7-16-6-3-4-8-20(16)21/h2-12,19H,1,13-15H2
InChIKeyGBYGCBQCCQMEOY-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one (CID 134492515) is 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one is C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5ccccc45)cc3C2=O)C1.
What is the InChIKey of 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The InChIKey is GBYGCBQCCQMEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-2-23(27)25-14-19(15-25)26-13-18-11-10-17(12-22(18)24(26)28)21-9-5-7-16-6-3-4-8-20(16)21/h2-12,19H,1,13-15H2.
What are the key properties of 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one has a molecular weight of 368.44 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 134492515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).