ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen

C10H23N3O — CID 145256922

IUPACethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen
SMILESC/N=C(\N)C(=O)C1CCNCC1.CC.[H][H]
InChIInChI=1S/C8H15N3O.C2H6.H2/c1-10-8(9)7(12)6-2-4-11-5-3-6;1-2;/h6,11H,2-5H2,1H3,(H2,9,10);1-2H3;1H
InChIKeyFZTVYLDVSZXQCR-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.81
Rot. Bonds2

About ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen

ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen (PubChem CID 145256922) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen
PubChem CID145256922
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Nameethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen
SMILESC/N=C(\N)C(=O)C1CCNCC1.CC.[H][H]
InChIInChI=1S/C8H15N3O.C2H6.H2/c1-10-8(9)7(12)6-2-4-11-5-3-6;1-2;/h6,11H,2-5H2,1H3,(H2,9,10);1-2H3;1H
InChIKeyFZTVYLDVSZXQCR-UHFFFAOYSA-N
XLogP0.81
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen?
The IUPAC name of ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen (CID 145256922) is ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen.
What is the SMILES notation for ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen?
The canonical SMILES for ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen is C/N=C(\N)C(=O)C1CCNCC1.CC.[H][H].
What is the InChIKey of ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen?
The InChIKey is FZTVYLDVSZXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.C2H6.H2/c1-10-8(9)7(12)6-2-4-11-5-3-6;1-2;/h6,11H,2-5H2,1H3,(H2,9,10);1-2H3;1H.
What are the key properties of ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen?
ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen has a molecular weight of 201.31 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-2-oxo-2-piperidin-4-ylethanimidamide;molecular hydrogen is sourced from PubChem (CID 145256922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).