(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine

C6H10N2O2 — CID 135423451

IUPAC(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine
SMILESC=CO/N=C(C)/C(C)=N/O
InChIInChI=1S/C6H10N2O2/c1-4-10-8-6(3)5(2)7-9/h4,9H,1H2,2-3H3/b7-5+,8-6+
InChIKeyYWKHDVQGHYNEOV-KQQUZDAGSA-N
MW142.16 g/mol
LogP1.37
Rot. Bonds3

About (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine

(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine (PubChem CID 135423451) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine
PubChem CID135423451
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine
SMILESC=CO/N=C(C)/C(C)=N/O
InChIInChI=1S/C6H10N2O2/c1-4-10-8-6(3)5(2)7-9/h4,9H,1H2,2-3H3/b7-5+,8-6+
InChIKeyYWKHDVQGHYNEOV-KQQUZDAGSA-N
XLogP1.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine (CID 135423451) is (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine is C=CO/N=C(C)/C(C)=N/O.
What is the InChIKey of (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine?
The InChIKey is YWKHDVQGHYNEOV-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-10-8-6(3)5(2)7-9/h4,9H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine?
(NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine has a molecular weight of 142.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3E)-3-ethenoxyiminobutan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135423451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).