N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide

C10H17NO2 — CID 127000308

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
SMILESCC(=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C10H17NO2/c1-6(12)11-8-7-4-5-13-9(7)10(8,2)3/h7-9H,4-5H2,1-3H3,(H,11,12)
InChIKeyODASHHWYFPGFGX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds1

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide (PubChem CID 127000308) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
PubChem CID127000308
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide
SMILESCC(=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C10H17NO2/c1-6(12)11-8-7-4-5-13-9(7)10(8,2)3/h7-9H,4-5H2,1-3H3,(H,11,12)
InChIKeyODASHHWYFPGFGX-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide (CID 127000308) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide is CC(=O)NC1C2CCOC2C1(C)C.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
The InChIKey is ODASHHWYFPGFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6(12)11-8-7-4-5-13-9(7)10(8,2)3/h7-9H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)acetamide is sourced from PubChem (CID 127000308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).