(Z)-2,5-diiminohex-3-enamide

C6H9N3O — CID 167167315

IUPAC(Z)-2,5-diiminohex-3-enamide
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(N)=O
InChIInChI=1S/C6H9N3O/c1-4(7)2-3-5(8)6(9)10/h2-3,7-8H,1H3,(H2,9,10)/b3-2-,7-4+,8-5-
InChIKeyCQNWEBRKBLMHAV-ZZCSMPLHSA-N
MW139.16 g/mol
LogP0.09
Rot. Bonds3

About (Z)-2,5-diiminohex-3-enamide

(Z)-2,5-diiminohex-3-enamide (PubChem CID 167167315) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (Z)-2,5-diiminohex-3-enamide.

Molecular Properties

Compound Name(Z)-2,5-diiminohex-3-enamide
PubChem CID167167315
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(Z)-2,5-diiminohex-3-enamide
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(N)=O
InChIInChI=1S/C6H9N3O/c1-4(7)2-3-5(8)6(9)10/h2-3,7-8H,1H3,(H2,9,10)/b3-2-,7-4+,8-5-
InChIKeyCQNWEBRKBLMHAV-ZZCSMPLHSA-N
XLogP0.09
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.09
H-Bond Donors ≤ 53
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)-2,5-diiminohex-3-enamide?
The IUPAC name of (Z)-2,5-diiminohex-3-enamide (CID 167167315) is (Z)-2,5-diiminohex-3-enamide.
What is the SMILES notation for (Z)-2,5-diiminohex-3-enamide?
The canonical SMILES for (Z)-2,5-diiminohex-3-enamide is [H]/N=C(/C=C\C(C)=N\[H])C(N)=O.
What is the InChIKey of (Z)-2,5-diiminohex-3-enamide?
The InChIKey is CQNWEBRKBLMHAV-ZZCSMPLHSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(7)2-3-5(8)6(9)10/h2-3,7-8H,1H3,(H2,9,10)/b3-2-,7-4+,8-5-.
What are the key properties of (Z)-2,5-diiminohex-3-enamide?
(Z)-2,5-diiminohex-3-enamide has a molecular weight of 139.16 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-diiminohex-3-enamide is sourced from PubChem (CID 167167315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).