ethane;(2Z)-2-hydroxyiminopropanamide

C5H12N2O2 — CID 143459456

IUPACethane;(2Z)-2-hydroxyiminopropanamide
SMILESC/C(=N/O)C(N)=O.CC
InChIInChI=1S/C3H6N2O2.C2H6/c1-2(5-7)3(4)6;1-2/h7H,1H3,(H2,4,6);1-2H3/b5-2-;
InChIKeyQJSIUQVUTMKLPG-PVOKDAACSA-N
MW132.16 g/mol
LogP0.35
Rot. Bonds1

About ethane;(2Z)-2-hydroxyiminopropanamide

ethane;(2Z)-2-hydroxyiminopropanamide (PubChem CID 143459456) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethane;(2Z)-2-hydroxyiminopropanamide.

Molecular Properties

Compound Nameethane;(2Z)-2-hydroxyiminopropanamide
PubChem CID143459456
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameethane;(2Z)-2-hydroxyiminopropanamide
SMILESC/C(=N/O)C(N)=O.CC
InChIInChI=1S/C3H6N2O2.C2H6/c1-2(5-7)3(4)6;1-2/h7H,1H3,(H2,4,6);1-2H3/b5-2-;
InChIKeyQJSIUQVUTMKLPG-PVOKDAACSA-N
XLogP0.35
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-2-hydroxyiminopropanamide?
The IUPAC name of ethane;(2Z)-2-hydroxyiminopropanamide (CID 143459456) is ethane;(2Z)-2-hydroxyiminopropanamide.
What is the SMILES notation for ethane;(2Z)-2-hydroxyiminopropanamide?
The canonical SMILES for ethane;(2Z)-2-hydroxyiminopropanamide is C/C(=N/O)C(N)=O.CC.
What is the InChIKey of ethane;(2Z)-2-hydroxyiminopropanamide?
The InChIKey is QJSIUQVUTMKLPG-PVOKDAACSA-N. The full InChI is InChI=1S/C3H6N2O2.C2H6/c1-2(5-7)3(4)6;1-2/h7H,1H3,(H2,4,6);1-2H3/b5-2-;.
What are the key properties of ethane;(2Z)-2-hydroxyiminopropanamide?
ethane;(2Z)-2-hydroxyiminopropanamide has a molecular weight of 132.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-2-hydroxyiminopropanamide is sourced from PubChem (CID 143459456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).