N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide

C16H19NO2 — CID 122584222

IUPACN-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESO=C(NC(=O)C1=CC2CCC1C2)C1=CC2CCC1C2
InChIInChI=1S/C16H19NO2/c18-15(13-7-9-1-3-11(13)5-9)17-16(19)14-8-10-2-4-12(14)6-10/h7-12H,1-6H2,(H,17,18,19)
InChIKeyJFBOWTURJPHSPY-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.34
Rot. Bonds2

About N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide

N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide (PubChem CID 122584222) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide.

Molecular Properties

Compound NameN-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide
PubChem CID122584222
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide
SMILESO=C(NC(=O)C1=CC2CCC1C2)C1=CC2CCC1C2
InChIInChI=1S/C16H19NO2/c18-15(13-7-9-1-3-11(13)5-9)17-16(19)14-8-10-2-4-12(14)6-10/h7-12H,1-6H2,(H,17,18,19)
InChIKeyJFBOWTURJPHSPY-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 19025273
CID 19025273
CID 23033262
CID 23033262
CID 67805768
CID 67805768
CID 130388553
CID 130388553
CID 140561006
CID 140561006
CID 141213057
CID 141213057
CID 154432133
CID 154432133
CID 55250595
CID 55250595

Frequently Asked Questions

What is the IUPAC name of N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide?
The IUPAC name of N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide (CID 122584222) is N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide.
What is the SMILES notation for N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide?
The canonical SMILES for N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide is O=C(NC(=O)C1=CC2CCC1C2)C1=CC2CCC1C2.
What is the InChIKey of N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide?
The InChIKey is JFBOWTURJPHSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(13-7-9-1-3-11(13)5-9)17-16(19)14-8-10-2-4-12(14)6-10/h7-12H,1-6H2,(H,17,18,19).
What are the key properties of N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide?
N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(bicyclo[2.2.1]hept-2-ene-2-carbonyl)bicyclo[2.2.1]hept-2-ene-2-carboxamide is sourced from PubChem (CID 122584222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).