(Z)-3-ethenyliminobut-1-en-1-amine

C6H10N2 — CID 87419799

IUPAC(Z)-3-ethenyliminobut-1-en-1-amine
SMILESC=C/N=C(C)/C=C\N
InChIInChI=1S/C6H10N2/c1-3-8-6(2)4-5-7/h3-5H,1,7H2,2H3/b5-4-,8-6+
InChIKeyYOHBDQVDWMBSDD-GSGSLZOQSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About (Z)-3-ethenyliminobut-1-en-1-amine

(Z)-3-ethenyliminobut-1-en-1-amine (PubChem CID 87419799) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-3-ethenyliminobut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenyliminobut-1-en-1-amine
PubChem CID87419799
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-3-ethenyliminobut-1-en-1-amine
SMILESC=C/N=C(C)/C=C\N
InChIInChI=1S/C6H10N2/c1-3-8-6(2)4-5-7/h3-5H,1,7H2,2H3/b5-4-,8-6+
InChIKeyYOHBDQVDWMBSDD-GSGSLZOQSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-3-ethenyliminobut-1-en-1-amine?
The IUPAC name of (Z)-3-ethenyliminobut-1-en-1-amine (CID 87419799) is (Z)-3-ethenyliminobut-1-en-1-amine.
What is the SMILES notation for (Z)-3-ethenyliminobut-1-en-1-amine?
The canonical SMILES for (Z)-3-ethenyliminobut-1-en-1-amine is C=C/N=C(C)/C=C\N.
What is the InChIKey of (Z)-3-ethenyliminobut-1-en-1-amine?
The InChIKey is YOHBDQVDWMBSDD-GSGSLZOQSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-6(2)4-5-7/h3-5H,1,7H2,2H3/b5-4-,8-6+.
What are the key properties of (Z)-3-ethenyliminobut-1-en-1-amine?
(Z)-3-ethenyliminobut-1-en-1-amine has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyliminobut-1-en-1-amine is sourced from PubChem (CID 87419799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).