2-oxabicyclo[4.1.0]heptane-7-carboxamide

C7H11NO2 — CID 69124990

IUPAC2-oxabicyclo[4.1.0]heptane-7-carboxamide
SMILESNC(=O)C1C2CCCOC21
InChIInChI=1S/C7H11NO2/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H2,8,9)
InChIKeyPKPLBNSBGAZTAK-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.10
Rot. Bonds1

About 2-oxabicyclo[4.1.0]heptane-7-carboxamide

2-oxabicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 69124990) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-oxabicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name2-oxabicyclo[4.1.0]heptane-7-carboxamide
PubChem CID69124990
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-oxabicyclo[4.1.0]heptane-7-carboxamide
SMILESNC(=O)C1C2CCCOC21
InChIInChI=1S/C7H11NO2/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H2,8,9)
InChIKeyPKPLBNSBGAZTAK-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1R,6R,7S)-2-oxabicyclo[4.1.0]heptane-7-carboxylate
CID 101004956
cyanomethyl 2-oxabicyclo[4.1.0]heptane-7-carboxylate
CID 130618772
bicyclo[6.1.0]nonane-9-carboxamide
CID 10012283
2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
CID 119031067
2-hydroxy-2-(oxolan-2-yl)acetamide
CID 82837458
ethyl 2-oxabicyclo[3.1.0]hexane-6-carboxylate
CID 10487113
oxane-3-carboxamide
CID 22714381
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
CID 66212695
methylcyclopentane;oxolane-2-carboxamide
CID 143309641
(2R,5R)-5-methoxyoxane-2-carboxamide
CID 173141169
benzene;oxane-2-carboxamide
CID 159532576
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of 2-oxabicyclo[4.1.0]heptane-7-carboxamide (CID 69124990) is 2-oxabicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for 2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for 2-oxabicyclo[4.1.0]heptane-7-carboxamide is NC(=O)C1C2CCCOC21.
What is the InChIKey of 2-oxabicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is PKPLBNSBGAZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H2,8,9).
What are the key properties of 2-oxabicyclo[4.1.0]heptane-7-carboxamide?
2-oxabicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 141.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 69124990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).