(1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide

C8H11NO2 — CID 129371767

IUPAC(1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C8H11NO2/c9-8(11)6-2-4-1-5(6)7(10)3-4/h4-6H,1-3H2,(H2,9,11)/t4-,5+,6+/m0/s1
InChIKeyBTLCXFLVMVTXNO-KVQBGUIXSA-N
MW153.18 g/mol
LogP0.09
Rot. Bonds1

About (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 129371767) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
PubChem CID129371767
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C8H11NO2/c9-8(11)6-2-4-1-5(6)7(10)3-4/h4-6H,1-3H2,(H2,9,11)/t4-,5+,6+/m0/s1
InChIKeyBTLCXFLVMVTXNO-KVQBGUIXSA-N
XLogP0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide (CID 129371767) is (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide is NC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BTLCXFLVMVTXNO-KVQBGUIXSA-N. The full InChI is InChI=1S/C8H11NO2/c9-8(11)6-2-4-1-5(6)7(10)3-4/h4-6H,1-3H2,(H2,9,11)/t4-,5+,6+/m0/s1.
What are the key properties of (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-6-oxobicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 129371767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).