tert-butylbenzene;3-methylideneisoindol-1-one

C19H21NO — CID 174962227

IUPACtert-butylbenzene;3-methylideneisoindol-1-one
SMILESC=C1NC(=O)c2ccccc21.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C9H7NO/c1-10(2,3)9-7-5-4-6-8-9;1-6-7-4-2-3-5-8(7)9(11)10-6/h4-8H,1-3H3;2-5H,1H2,(H,10,11)
InChIKeyPGIMLFVQLNAAIR-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.38
Rot. Bonds

About tert-butylbenzene;3-methylideneisoindol-1-one

tert-butylbenzene;3-methylideneisoindol-1-one (PubChem CID 174962227) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butylbenzene;3-methylideneisoindol-1-one.

Molecular Properties

Compound Nametert-butylbenzene;3-methylideneisoindol-1-one
PubChem CID174962227
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Nametert-butylbenzene;3-methylideneisoindol-1-one
SMILESC=C1NC(=O)c2ccccc21.CC(C)(C)c1ccccc1
InChIInChI=1S/C10H14.C9H7NO/c1-10(2,3)9-7-5-4-6-8-9;1-6-7-4-2-3-5-8(7)9(11)10-6/h4-8H,1-3H3;2-5H,1H2,(H,10,11)
InChIKeyPGIMLFVQLNAAIR-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;3-methylideneisoindol-1-one?
The IUPAC name of tert-butylbenzene;3-methylideneisoindol-1-one (CID 174962227) is tert-butylbenzene;3-methylideneisoindol-1-one.
What is the SMILES notation for tert-butylbenzene;3-methylideneisoindol-1-one?
The canonical SMILES for tert-butylbenzene;3-methylideneisoindol-1-one is C=C1NC(=O)c2ccccc21.CC(C)(C)c1ccccc1.
What is the InChIKey of tert-butylbenzene;3-methylideneisoindol-1-one?
The InChIKey is PGIMLFVQLNAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H7NO/c1-10(2,3)9-7-5-4-6-8-9;1-6-7-4-2-3-5-8(7)9(11)10-6/h4-8H,1-3H3;2-5H,1H2,(H,10,11).
What are the key properties of tert-butylbenzene;3-methylideneisoindol-1-one?
tert-butylbenzene;3-methylideneisoindol-1-one has a molecular weight of 279.38 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;3-methylideneisoindol-1-one is sourced from PubChem (CID 174962227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).