(Z)-5-amino-3-iminohex-4-enenitrile

C6H9N3 — CID 55288877

IUPAC(Z)-5-amino-3-iminohex-4-enenitrile
SMILES[H]/N=C(/C=C(/C)N)CC#N
InChIInChI=1S/C6H9N3/c1-5(8)4-6(9)2-3-7/h4,9H,2,8H2,1H3/b5-4-,9-6+
InChIKeyOKVPUBQYAZMHSZ-KMOPYBJPSA-N
MW123.16 g/mol
LogP0.78
Rot. Bonds2

About (Z)-5-amino-3-iminohex-4-enenitrile

(Z)-5-amino-3-iminohex-4-enenitrile (PubChem CID 55288877) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (Z)-5-amino-3-iminohex-4-enenitrile.

Molecular Properties

Compound Name(Z)-5-amino-3-iminohex-4-enenitrile
PubChem CID55288877
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(Z)-5-amino-3-iminohex-4-enenitrile
SMILES[H]/N=C(/C=C(/C)N)CC#N
InChIInChI=1S/C6H9N3/c1-5(8)4-6(9)2-3-7/h4,9H,2,8H2,1H3/b5-4-,9-6+
InChIKeyOKVPUBQYAZMHSZ-KMOPYBJPSA-N
XLogP0.78
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-5-amino-3-iminohex-4-enenitrile?
The IUPAC name of (Z)-5-amino-3-iminohex-4-enenitrile (CID 55288877) is (Z)-5-amino-3-iminohex-4-enenitrile.
What is the SMILES notation for (Z)-5-amino-3-iminohex-4-enenitrile?
The canonical SMILES for (Z)-5-amino-3-iminohex-4-enenitrile is [H]/N=C(/C=C(/C)N)CC#N.
What is the InChIKey of (Z)-5-amino-3-iminohex-4-enenitrile?
The InChIKey is OKVPUBQYAZMHSZ-KMOPYBJPSA-N. The full InChI is InChI=1S/C6H9N3/c1-5(8)4-6(9)2-3-7/h4,9H,2,8H2,1H3/b5-4-,9-6+.
What are the key properties of (Z)-5-amino-3-iminohex-4-enenitrile?
(Z)-5-amino-3-iminohex-4-enenitrile has a molecular weight of 123.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-3-iminohex-4-enenitrile is sourced from PubChem (CID 55288877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).