1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione

C17H18N2O2 — CID 24739783

IUPAC1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione
SMILESC=C1N(C)c2cc(CN3C(=O)C=CC3=O)ccc2C1(C)C
InChIInChI=1S/C17H18N2O2/c1-11-17(2,3)13-6-5-12(9-14(13)18(11)4)10-19-15(20)7-8-16(19)21/h5-9H,1,10H2,2-4H3
InChIKeyVWGMCIIOGWCVQD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.35
Rot. Bonds2

About 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione

1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione (PubChem CID 24739783) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione
PubChem CID24739783
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione
SMILESC=C1N(C)c2cc(CN3C(=O)C=CC3=O)ccc2C1(C)C
InChIInChI=1S/C17H18N2O2/c1-11-17(2,3)13-6-5-12(9-14(13)18(11)4)10-19-15(20)7-8-16(19)21/h5-9H,1,10H2,2-4H3
InChIKeyVWGMCIIOGWCVQD-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione (CID 24739783) is 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione is C=C1N(C)c2cc(CN3C(=O)C=CC3=O)ccc2C1(C)C.
What is the InChIKey of 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione?
The InChIKey is VWGMCIIOGWCVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-17(2,3)13-6-5-12(9-14(13)18(11)4)10-19-15(20)7-8-16(19)21/h5-9H,1,10H2,2-4H3.
What are the key properties of 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione?
1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione has a molecular weight of 282.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,3-trimethyl-2-methylideneindol-6-yl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 24739783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).