4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide

C14H23NO2 — CID 2951443

IUPAC4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCCNC(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C14H23NO2/c1-5-8-15-11(17)14-7-6-13(4,10(16)9-14)12(14,2)3/h5-9H2,1-4H3,(H,15,17)
InChIKeySSBRZLQUFVASLA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.30
Rot. Bonds3

About 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2951443) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2951443
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCCNC(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C14H23NO2/c1-5-8-15-11(17)14-7-6-13(4,10(16)9-14)12(14,2)3/h5-9H2,1-4H3,(H,15,17)
InChIKeySSBRZLQUFVASLA-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide (CID 2951443) is 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide is CCCNC(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is SSBRZLQUFVASLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-8-15-11(17)14-7-6-13(4,10(16)9-14)12(14,2)3/h5-9H2,1-4H3,(H,15,17).
What are the key properties of 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-oxo-N-propylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).