bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide

C9H12N2O2 — CID 87974900

IUPACbicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide
SMILESNC(=O)C1=CC2CCC1(C(N)=O)C2
InChIInChI=1S/C9H12N2O2/c10-7(12)6-3-5-1-2-9(6,4-5)8(11)13/h3,5H,1-2,4H2,(H2,10,12)(H2,11,13)
InChIKeyYADLHZSDFDFMQK-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.32
Rot. Bonds2

About bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide

bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide (PubChem CID 87974900) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide
PubChem CID87974900
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namebicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide
SMILESNC(=O)C1=CC2CCC1(C(N)=O)C2
InChIInChI=1S/C9H12N2O2/c10-7(12)6-3-5-1-2-9(6,4-5)8(11)13/h3,5H,1-2,4H2,(H2,10,12)(H2,11,13)
InChIKeyYADLHZSDFDFMQK-UHFFFAOYSA-N
XLogP-0.32
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide (CID 87974900) is bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide is NC(=O)C1=CC2CCC1(C(N)=O)C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide?
The InChIKey is YADLHZSDFDFMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-7(12)6-3-5-1-2-9(6,4-5)8(11)13/h3,5H,1-2,4H2,(H2,10,12)(H2,11,13).
What are the key properties of bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide?
bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene-1,2-dicarboxamide is sourced from PubChem (CID 87974900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).