N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C9H15NO2 — CID 130947496

IUPACN-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1C2COCC21
InChIInChI=1S/C9H15NO2/c1-5(2)10-9(11)8-6-3-12-4-7(6)8/h5-8H,3-4H2,1-2H3,(H,10,11)
InChIKeyJUHJTEZSRRAYRL-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.40
Rot. Bonds2

About N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide

N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 130947496) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID130947496
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1C2COCC21
InChIInChI=1S/C9H15NO2/c1-5(2)10-9(11)8-6-3-12-4-7(6)8/h5-8H,3-4H2,1-2H3,(H,10,11)
InChIKeyJUHJTEZSRRAYRL-UHFFFAOYSA-N
XLogP0.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 130947496) is N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide is CC(C)NC(=O)C1C2COCC21.
What is the InChIKey of N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JUHJTEZSRRAYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-5(2)10-9(11)8-6-3-12-4-7(6)8/h5-8H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 130947496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).