ethane;4-oxopentanimidamide

C7H16N2O — CID 142322698

IUPACethane;4-oxopentanimidamide
SMILESCC.[H]/N=C(\N)CCC(C)=O
InChIInChI=1S/C5H10N2O.C2H6/c1-4(8)2-3-5(6)7;1-2/h2-3H2,1H3,(H3,6,7);1-2H3
InChIKeyUJAAWAQFRLCNNQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.32
Rot. Bonds3

About ethane;4-oxopentanimidamide

ethane;4-oxopentanimidamide (PubChem CID 142322698) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is ethane;4-oxopentanimidamide.

Molecular Properties

Compound Nameethane;4-oxopentanimidamide
PubChem CID142322698
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Nameethane;4-oxopentanimidamide
SMILESCC.[H]/N=C(\N)CCC(C)=O
InChIInChI=1S/C5H10N2O.C2H6/c1-4(8)2-3-5(6)7;1-2/h2-3H2,1H3,(H3,6,7);1-2H3
InChIKeyUJAAWAQFRLCNNQ-UHFFFAOYSA-N
XLogP1.32
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-oxopentanimidamide?
The IUPAC name of ethane;4-oxopentanimidamide (CID 142322698) is ethane;4-oxopentanimidamide.
What is the SMILES notation for ethane;4-oxopentanimidamide?
The canonical SMILES for ethane;4-oxopentanimidamide is CC.[H]/N=C(\N)CCC(C)=O.
What is the InChIKey of ethane;4-oxopentanimidamide?
The InChIKey is UJAAWAQFRLCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2H6/c1-4(8)2-3-5(6)7;1-2/h2-3H2,1H3,(H3,6,7);1-2H3.
What are the key properties of ethane;4-oxopentanimidamide?
ethane;4-oxopentanimidamide has a molecular weight of 144.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-oxopentanimidamide is sourced from PubChem (CID 142322698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).