(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C13H19NO3 — CID 70897761

IUPAC(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1OC(=O)CC1NC(=O)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C13H19NO3/c1-7-11(6-12(15)17-7)14-13(16)10-5-8-2-3-9(10)4-8/h7-11H,2-6H2,1H3,(H,14,16)/t7?,8-,9+,10?,11?/m1/s1
InChIKeyQQGDTTMBLWRNOB-SQQPQDOJSA-N
MW237.30 g/mol
LogP1.24
Rot. Bonds2

About (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 70897761) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID70897761
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1OC(=O)CC1NC(=O)C1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C13H19NO3/c1-7-11(6-12(15)17-7)14-13(16)10-5-8-2-3-9(10)4-8/h7-11H,2-6H2,1H3,(H,14,16)/t7?,8-,9+,10?,11?/m1/s1
InChIKeyQQGDTTMBLWRNOB-SQQPQDOJSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 70897761) is (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC1OC(=O)CC1NC(=O)C1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QQGDTTMBLWRNOB-SQQPQDOJSA-N. The full InChI is InChI=1S/C13H19NO3/c1-7-11(6-12(15)17-7)14-13(16)10-5-8-2-3-9(10)4-8/h7-11H,2-6H2,1H3,(H,14,16)/t7?,8-,9+,10?,11?/m1/s1.
What are the key properties of (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-N-(2-methyl-5-oxooxolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 70897761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).