2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C12H19NO — CID 22456546

IUPAC2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCNC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-6-13-11(14)12(2)8-9-4-5-10(12)7-9/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyAUHRRZZXJIEENV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide

2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 22456546) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID22456546
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCNC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C12H19NO/c1-3-6-13-11(14)12(2)8-9-4-5-10(12)7-9/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyAUHRRZZXJIEENV-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
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 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 22456546) is 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCNC(=O)C1(C)CC2C=CC1C2.
What is the InChIKey of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is AUHRRZZXJIEENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-13-11(14)12(2)8-9-4-5-10(12)7-9/h4-5,9-10H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 22456546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).