2-aminoethenyl(but-3-en-2-ylidene)azanium

C6H11N2+ — CID 146739320

IUPAC2-aminoethenyl(but-3-en-2-ylidene)azanium
SMILESC=C/C(C)=[NH+]/C=CN
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-5H,1,7H2,2H3/p+1/b5-4?,8-6+
InChIKeyRKDALLWUIGJBBP-MJZAGPDTSA-O
MW111.17 g/mol
LogP-0.86
Rot. Bonds2

About 2-aminoethenyl(but-3-en-2-ylidene)azanium

2-aminoethenyl(but-3-en-2-ylidene)azanium (PubChem CID 146739320) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 2-aminoethenyl(but-3-en-2-ylidene)azanium.

Molecular Properties

Compound Name2-aminoethenyl(but-3-en-2-ylidene)azanium
PubChem CID146739320
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name2-aminoethenyl(but-3-en-2-ylidene)azanium
SMILESC=C/C(C)=[NH+]/C=CN
InChIInChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-5H,1,7H2,2H3/p+1/b5-4?,8-6+
InChIKeyRKDALLWUIGJBBP-MJZAGPDTSA-O
XLogP-0.86
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethenyl(but-3-en-2-ylidene)azanium?
The IUPAC name of 2-aminoethenyl(but-3-en-2-ylidene)azanium (CID 146739320) is 2-aminoethenyl(but-3-en-2-ylidene)azanium.
What is the SMILES notation for 2-aminoethenyl(but-3-en-2-ylidene)azanium?
The canonical SMILES for 2-aminoethenyl(but-3-en-2-ylidene)azanium is C=C/C(C)=[NH+]/C=CN.
What is the InChIKey of 2-aminoethenyl(but-3-en-2-ylidene)azanium?
The InChIKey is RKDALLWUIGJBBP-MJZAGPDTSA-O. The full InChI is InChI=1S/C6H10N2/c1-3-6(2)8-5-4-7/h3-5H,1,7H2,2H3/p+1/b5-4?,8-6+.
What are the key properties of 2-aminoethenyl(but-3-en-2-ylidene)azanium?
2-aminoethenyl(but-3-en-2-ylidene)azanium has a molecular weight of 111.17 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethenyl(but-3-en-2-ylidene)azanium is sourced from PubChem (CID 146739320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).