bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide

C9H12N2O2 — CID 70371800

IUPACbicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide
SMILESNC(=O)C1=CC2CC(C(N)=O)C1C2
InChIInChI=1S/C9H12N2O2/c10-8(12)6-2-4-1-5(6)7(3-4)9(11)13/h2,4-5,7H,1,3H2,(H2,10,12)(H2,11,13)
InChIKeyPVYCSWRBWNAIKK-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.46
Rot. Bonds2

About bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide

bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide (PubChem CID 70371800) 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-2,6-dicarboxamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide
PubChem CID70371800
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namebicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide
SMILESNC(=O)C1=CC2CC(C(N)=O)C1C2
InChIInChI=1S/C9H12N2O2/c10-8(12)6-2-4-1-5(6)7(3-4)9(11)13/h2,4-5,7H,1,3H2,(H2,10,12)(H2,11,13)
InChIKeyPVYCSWRBWNAIKK-UHFFFAOYSA-N
XLogP-0.46
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 ≤ 5-0.46
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-2,6-dicarboxamide?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide (CID 70371800) is bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide is NC(=O)C1=CC2CC(C(N)=O)C1C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide?
The InChIKey is PVYCSWRBWNAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-8(12)6-2-4-1-5(6)7(3-4)9(11)13/h2,4-5,7H,1,3H2,(H2,10,12)(H2,11,13).
What are the key properties of bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide?
bicyclo[2.2.1]hept-2-ene-2,6-dicarboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.46, 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-2,6-dicarboxamide is sourced from PubChem (CID 70371800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).