(E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium

C6H10NO+ — CID 144937204

IUPAC(E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium
SMILESC=C/C(C)=[N+](/O)C=C
InChIInChI=1S/C6H10NO/c1-4-6(3)7(8)5-2/h4-5,8H,1-2H2,3H3/q+1/b7-6+
InChIKeyOAEIZWZGQBISBF-VOTSOKGWSA-N
MW112.15 g/mol
LogP1.18
Rot. Bonds2

About (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium

(E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium (PubChem CID 144937204) has the molecular formula C6H10NO+ and a molecular weight of 112.15 g/mol. Its IUPAC name is (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium.

Molecular Properties

Compound Name(E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium
PubChem CID144937204
Molecular FormulaC6H10NO+
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name(E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium
SMILESC=C/C(C)=[N+](/O)C=C
InChIInChI=1S/C6H10NO/c1-4-6(3)7(8)5-2/h4-5,8H,1-2H2,3H3/q+1/b7-6+
InChIKeyOAEIZWZGQBISBF-VOTSOKGWSA-N
XLogP1.18
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
3,4-dimethylpenta-1,3-diene
CID 6713443
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
ethenyl-methyl-pent-3-en-2-ylideneazanium
CID 123618889
tris(but-3-en-2-one);tungsten
CID 54606302
bis(buta-1,3-diene);2-methylbuta-1,3-diene
CID 161391360
but-3-en-2-one;hydrochloride
CID 172746503
methoxymethane;2-methylbuta-1,3-diene
CID 159763877
formonitrile;2-methylbuta-1,3-diene
CID 159945395
but-1-ene;2,3-dimethylbut-2-ene
CID 144536519

Frequently Asked Questions

What is the IUPAC name of (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium?
The IUPAC name of (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium (CID 144937204) is (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium.
What is the SMILES notation for (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium?
The canonical SMILES for (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium is C=C/C(C)=[N+](/O)C=C.
What is the InChIKey of (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium?
The InChIKey is OAEIZWZGQBISBF-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H10NO/c1-4-6(3)7(8)5-2/h4-5,8H,1-2H2,3H3/q+1/b7-6+.
What are the key properties of (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium?
(E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium has a molecular weight of 112.15 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-3-en-2-ylidene-ethenyl-hydroxyazanium is sourced from PubChem (CID 144937204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).