4-oxopentanamide;titanium

C5H9NO2Ti — CID 174475766

IUPAC4-oxopentanamide;titanium
SMILESCC(=O)CCC(N)=O.[Ti]
InChIInChI=1S/C5H9NO2.Ti/c1-4(7)2-3-5(6)8;/h2-3H2,1H3,(H2,6,8);
InChIKeyIJNAWGIUKLQQKD-UHFFFAOYSA-N
MW163.00 g/mol
LogP-0.16
Rot. Bonds3

About 4-oxopentanamide;titanium

4-oxopentanamide;titanium (PubChem CID 174475766) has the molecular formula C5H9NO2Ti and a molecular weight of 163.00 g/mol. Its IUPAC name is 4-oxopentanamide;titanium.

Molecular Properties

Compound Name4-oxopentanamide;titanium
PubChem CID174475766
Molecular FormulaC5H9NO2Ti
Molecular Weight163.00 g/mol
Exact Mass163.01
IUPAC Name4-oxopentanamide;titanium
SMILESCC(=O)CCC(N)=O.[Ti]
InChIInChI=1S/C5H9NO2.Ti/c1-4(7)2-3-5(6)8;/h2-3H2,1H3,(H2,6,8);
InChIKeyIJNAWGIUKLQQKD-UHFFFAOYSA-N
XLogP-0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.00
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159756610

Frequently Asked Questions

What is the IUPAC name of 4-oxopentanamide;titanium?
The IUPAC name of 4-oxopentanamide;titanium (CID 174475766) is 4-oxopentanamide;titanium.
What is the SMILES notation for 4-oxopentanamide;titanium?
The canonical SMILES for 4-oxopentanamide;titanium is CC(=O)CCC(N)=O.[Ti].
What is the InChIKey of 4-oxopentanamide;titanium?
The InChIKey is IJNAWGIUKLQQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.Ti/c1-4(7)2-3-5(6)8;/h2-3H2,1H3,(H2,6,8);.
What are the key properties of 4-oxopentanamide;titanium?
4-oxopentanamide;titanium has a molecular weight of 163.00 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopentanamide;titanium is sourced from PubChem (CID 174475766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).