(2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide

C10H13NO2 — CID 134480139

IUPAC(2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide
SMILESCC1c2ccc(o2)[C@@H]1C(=O)N(C)C
InChIInChI=1S/C10H13NO2/c1-6-7-4-5-8(13-7)9(6)10(12)11(2)3/h4-6,9H,1-3H3/t6?,9-/m1/s1
InChIKeySJJSZKNOHGECMI-IOJJLOCKSA-N
MW179.22 g/mol
LogP1.57
Rot. Bonds1

About (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide

(2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide (PubChem CID 134480139) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide
PubChem CID134480139
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide
SMILESCC1c2ccc(o2)[C@@H]1C(=O)N(C)C
InChIInChI=1S/C10H13NO2/c1-6-7-4-5-8(13-7)9(6)10(12)11(2)3/h4-6,9H,1-3H3/t6?,9-/m1/s1
InChIKeySJJSZKNOHGECMI-IOJJLOCKSA-N
XLogP1.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide?
The IUPAC name of (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide (CID 134480139) is (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide.
What is the SMILES notation for (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide?
The canonical SMILES for (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide is CC1c2ccc(o2)[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide?
The InChIKey is SJJSZKNOHGECMI-IOJJLOCKSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-7-4-5-8(13-7)9(6)10(12)11(2)3/h4-6,9H,1-3H3/t6?,9-/m1/s1.
What are the key properties of (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide?
(2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,3-trimethyl-7-oxabicyclo[2.2.1]hepta-1(6),4-diene-2-carboxamide is sourced from PubChem (CID 134480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).