2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione

C14H16N2O2 — CID 66045442

IUPAC2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione
SMILESC=C(CC)CNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H16N2O2/c1-4-9(2)8-15-10-5-6-11-12(7-10)14(18)16(3)13(11)17/h5-7,15H,2,4,8H2,1,3H3
InChIKeyYIZTYMUVNQUSKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione

2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione (PubChem CID 66045442) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione
PubChem CID66045442
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione
SMILESC=C(CC)CNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H16N2O2/c1-4-9(2)8-15-10-5-6-11-12(7-10)14(18)16(3)13(11)17/h5-7,15H,2,4,8H2,1,3H3
InChIKeyYIZTYMUVNQUSKA-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione (CID 66045442) is 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione is C=C(CC)CNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione?
The InChIKey is YIZTYMUVNQUSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-9(2)8-15-10-5-6-11-12(7-10)14(18)16(3)13(11)17/h5-7,15H,2,4,8H2,1,3H3.
What are the key properties of 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione?
2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione has a molecular weight of 244.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione is sourced from PubChem (CID 66045442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).