3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C9H13NO — CID 59748030

IUPAC3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC1C2C=CC(C2)C1C(N)=O
InChIInChI=1S/C9H13NO/c1-5-6-2-3-7(4-6)8(5)9(10)11/h2-3,5-8H,4H2,1H3,(H2,10,11)
InChIKeyQGXPCRLBWDWNGW-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.93
Rot. Bonds1

About 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide

3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 59748030) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID59748030
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCC1C2C=CC(C2)C1C(N)=O
InChIInChI=1S/C9H13NO/c1-5-6-2-3-7(4-6)8(5)9(10)11/h2-3,5-8H,4H2,1H3,(H2,10,11)
InChIKeyQGXPCRLBWDWNGW-UHFFFAOYSA-N
XLogP0.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 59748030) is 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CC1C2C=CC(C2)C1C(N)=O.
What is the InChIKey of 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is QGXPCRLBWDWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-6-2-3-7(4-6)8(5)9(10)11/h2-3,5-8H,4H2,1H3,(H2,10,11).
What are the key properties of 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 59748030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).