1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione

C14H19NO2 — CID 123301575

IUPAC1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
SMILESCC1(C)C2CCC1(C)C(N1C(=O)C=CC1=O)C2
InChIInChI=1S/C14H19NO2/c1-13(2)9-6-7-14(13,3)10(8-9)15-11(16)4-5-12(15)17/h4-5,9-10H,6-8H2,1-3H3
InChIKeySDVYLUNHHKJBGE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.13
Rot. Bonds1

About 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione

1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione (PubChem CID 123301575) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
PubChem CID123301575
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione
SMILESCC1(C)C2CCC1(C)C(N1C(=O)C=CC1=O)C2
InChIInChI=1S/C14H19NO2/c1-13(2)9-6-7-14(13,3)10(8-9)15-11(16)4-5-12(15)17/h4-5,9-10H,6-8H2,1-3H3
InChIKeySDVYLUNHHKJBGE-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione (CID 123301575) is 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione is CC1(C)C2CCC1(C)C(N1C(=O)C=CC1=O)C2.
What is the InChIKey of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
The InChIKey is SDVYLUNHHKJBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2)9-6-7-14(13,3)10(8-9)15-11(16)4-5-12(15)17/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione?
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione has a molecular weight of 233.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrrole-2,5-dione is sourced from PubChem (CID 123301575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).