7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione

C9H9NO2 — CID 22754154

IUPAC7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione
SMILESC=C1C=CCC2C(=O)NC(=O)C12
InChIInChI=1S/C9H9NO2/c1-5-3-2-4-6-7(5)9(12)10-8(6)11/h2-3,6-7H,1,4H2,(H,10,11,12)
InChIKeyIYUSTMSYRAZYIG-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.39
Rot. Bonds

About 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione

7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione (PubChem CID 22754154) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione.

Molecular Properties

Compound Name7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione
PubChem CID22754154
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione
SMILESC=C1C=CCC2C(=O)NC(=O)C12
InChIInChI=1S/C9H9NO2/c1-5-3-2-4-6-7(5)9(12)10-8(6)11/h2-3,6-7H,1,4H2,(H,10,11,12)
InChIKeyIYUSTMSYRAZYIG-UHFFFAOYSA-N
XLogP0.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydrophthalimide
CID 6808
cis-1,2,3,6-Tetrahydrophthalimide
CID 92888
4a,8a-(Methaniminomethano)naphthalene-9,11-dione, 1,4,5,8-tetrahydro-
CID 27962
5-Methyl-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione
CID 280950
Dihydrophthal-imide
CID 12211561
Methylene-phtalimide
CID 13706801
3a,4,5,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione
CID 15277982
3-Methyltetrahydrophtalimide
CID 17801968
4-Methyltetrahydrophthalimide
CID 20071168
Hept-2-ene-5,6-dicarboximide
CID 67061088
2-Vinylphthalimide
CID 67539330
3-Amino-m-methylphthalimide
CID 129818410

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione?
The IUPAC name of 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione (CID 22754154) is 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione.
What is the SMILES notation for 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione?
The canonical SMILES for 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione is C=C1C=CCC2C(=O)NC(=O)C12.
What is the InChIKey of 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione?
The InChIKey is IYUSTMSYRAZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-5-3-2-4-6-7(5)9(12)10-8(6)11/h2-3,6-7H,1,4H2,(H,10,11,12).
What are the key properties of 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione?
7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione has a molecular weight of 163.18 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione is sourced from PubChem (CID 22754154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).