3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one

C18H15NO — CID 10801387

IUPAC3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one
SMILESC=C(C)c1ccccc1N1C(=C)c2ccccc2C1=O
InChIInChI=1S/C18H15NO/c1-12(2)14-8-6-7-11-17(14)19-13(3)15-9-4-5-10-16(15)18(19)20/h4-11H,1,3H2,2H3
InChIKeyDDRLSQULHBSZQT-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.35
Rot. Bonds2

About 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one

3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one (PubChem CID 10801387) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one.

Molecular Properties

Compound Name3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one
PubChem CID10801387
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one
SMILESC=C(C)c1ccccc1N1C(=C)c2ccccc2C1=O
InChIInChI=1S/C18H15NO/c1-12(2)14-8-6-7-11-17(14)19-13(3)15-9-4-5-10-16(15)18(19)20/h4-11H,1,3H2,2H3
InChIKeyDDRLSQULHBSZQT-UHFFFAOYSA-N
XLogP4.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-2-(2-prop-1-en-2-ylphenyl)-3H-isoindol-1-one
CID 10491926
6-acetyl-3-methylidene-2-phenyl-5-prop-1-en-2-ylisoindol-1-one
CID 88979792
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
CID 101120220
2-(4-ethyl-2-methylphenyl)-3-methylideneisoindol-1-one
CID 177233706
ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate
CID 56998592
2-(2-acetylphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 79671111
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 79671598
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
2-[2-hydroxy-5-(sulfinatoamino)phenyl]-1-methylidene-3-oxoisoindole
CID 89376430
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one?
The IUPAC name of 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one (CID 10801387) is 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one.
What is the SMILES notation for 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one?
The canonical SMILES for 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one is C=C(C)c1ccccc1N1C(=C)c2ccccc2C1=O.
What is the InChIKey of 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one?
The InChIKey is DDRLSQULHBSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12(2)14-8-6-7-11-17(14)19-13(3)15-9-4-5-10-16(15)18(19)20/h4-11H,1,3H2,2H3.
What are the key properties of 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one?
3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one has a molecular weight of 261.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(2-prop-1-en-2-ylphenyl)isoindol-1-one is sourced from PubChem (CID 10801387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).