5-azaspiro[2.4]heptan-6-one;molecular hydrogen

C6H11NO — CID 171823413

IUPAC5-azaspiro[2.4]heptan-6-one;molecular hydrogen
SMILESO=C1CC2(CC2)CN1.[H][H]
InChIInChI=1S/C6H9NO.H2/c8-5-3-6(1-2-6)4-7-5;/h1-4H2,(H,7,8);1H
InChIKeyUDPWWRCHPXMTPI-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.53
Rot. Bonds

About 5-azaspiro[2.4]heptan-6-one;molecular hydrogen

5-azaspiro[2.4]heptan-6-one;molecular hydrogen (PubChem CID 171823413) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-6-one;molecular hydrogen.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-6-one;molecular hydrogen
PubChem CID171823413
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-azaspiro[2.4]heptan-6-one;molecular hydrogen
SMILESO=C1CC2(CC2)CN1.[H][H]
InChIInChI=1S/C6H9NO.H2/c8-5-3-6(1-2-6)4-7-5;/h1-4H2,(H,7,8);1H
InChIKeyUDPWWRCHPXMTPI-UHFFFAOYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-6-one;molecular hydrogen?
The IUPAC name of 5-azaspiro[2.4]heptan-6-one;molecular hydrogen (CID 171823413) is 5-azaspiro[2.4]heptan-6-one;molecular hydrogen.
What is the SMILES notation for 5-azaspiro[2.4]heptan-6-one;molecular hydrogen?
The canonical SMILES for 5-azaspiro[2.4]heptan-6-one;molecular hydrogen is O=C1CC2(CC2)CN1.[H][H].
What is the InChIKey of 5-azaspiro[2.4]heptan-6-one;molecular hydrogen?
The InChIKey is UDPWWRCHPXMTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.H2/c8-5-3-6(1-2-6)4-7-5;/h1-4H2,(H,7,8);1H.
What are the key properties of 5-azaspiro[2.4]heptan-6-one;molecular hydrogen?
5-azaspiro[2.4]heptan-6-one;molecular hydrogen has a molecular weight of 113.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-6-one;molecular hydrogen is sourced from PubChem (CID 171823413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).