ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide

C11H21NO2 — CID 171523044

IUPACethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide
SMILESCC.CCC(=O)NC1COCC12CC2
InChIInChI=1S/C9H15NO2.C2H6/c1-2-8(11)10-7-5-12-6-9(7)3-4-9;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3
InChIKeyKDBMLGJVTCFUKF-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds2

About ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide

ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide (PubChem CID 171523044) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide.

Molecular Properties

Compound Nameethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide
PubChem CID171523044
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide
SMILESCC.CCC(=O)NC1COCC12CC2
InChIInChI=1S/C9H15NO2.C2H6/c1-2-8(11)10-7-5-12-6-9(7)3-4-9;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3
InChIKeyKDBMLGJVTCFUKF-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide?
The IUPAC name of ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide (CID 171523044) is ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide.
What is the SMILES notation for ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide?
The canonical SMILES for ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide is CC.CCC(=O)NC1COCC12CC2.
What is the InChIKey of ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide?
The InChIKey is KDBMLGJVTCFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.C2H6/c1-2-8(11)10-7-5-12-6-9(7)3-4-9;1-2/h7H,2-6H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide?
ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-oxaspiro[2.4]heptan-7-yl)propanamide is sourced from PubChem (CID 171523044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).