ethane;O-[(Z)-prop-1-enyl]hydroxylamine

C5H13NO — CID 144998414

IUPACethane;O-[(Z)-prop-1-enyl]hydroxylamine
SMILESC/C=C\ON.CC
InChIInChI=1S/C3H7NO.C2H6/c1-2-3-5-4;1-2/h2-3H,4H2,1H3;1-2H3/b3-2-;
InChIKeyMVDXFYULTQYGIP-OLGQORCHSA-N
MW103.16 g/mol
LogP1.44
Rot. Bonds1

About ethane;O-[(Z)-prop-1-enyl]hydroxylamine

ethane;O-[(Z)-prop-1-enyl]hydroxylamine (PubChem CID 144998414) has the molecular formula C5H13NO and a molecular weight of 103.16 g/mol. Its IUPAC name is ethane;O-[(Z)-prop-1-enyl]hydroxylamine.

Molecular Properties

Compound Nameethane;O-[(Z)-prop-1-enyl]hydroxylamine
PubChem CID144998414
Molecular FormulaC5H13NO
Molecular Weight103.16 g/mol
Exact Mass103.10
IUPAC Nameethane;O-[(Z)-prop-1-enyl]hydroxylamine
SMILESC/C=C\ON.CC
InChIInChI=1S/C3H7NO.C2H6/c1-2-3-5-4;1-2/h2-3H,4H2,1H3;1-2H3/b3-2-;
InChIKeyMVDXFYULTQYGIP-OLGQORCHSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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;O-[(Z)-prop-1-enyl]hydroxylamine?
The IUPAC name of ethane;O-[(Z)-prop-1-enyl]hydroxylamine (CID 144998414) is ethane;O-[(Z)-prop-1-enyl]hydroxylamine.
What is the SMILES notation for ethane;O-[(Z)-prop-1-enyl]hydroxylamine?
The canonical SMILES for ethane;O-[(Z)-prop-1-enyl]hydroxylamine is C/C=C\ON.CC.
What is the InChIKey of ethane;O-[(Z)-prop-1-enyl]hydroxylamine?
The InChIKey is MVDXFYULTQYGIP-OLGQORCHSA-N. The full InChI is InChI=1S/C3H7NO.C2H6/c1-2-3-5-4;1-2/h2-3H,4H2,1H3;1-2H3/b3-2-;.
What are the key properties of ethane;O-[(Z)-prop-1-enyl]hydroxylamine?
ethane;O-[(Z)-prop-1-enyl]hydroxylamine has a molecular weight of 103.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-[(Z)-prop-1-enyl]hydroxylamine is sourced from PubChem (CID 144998414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).