[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium

C8H15N4O2+ — CID 144517078

IUPAC[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium
SMILESCNC(=O)/C(C(=[NH2+])CC(N)=O)=C(/C)N
InChIInChI=1S/C8H14N4O2/c1-4(9)7(8(14)12-2)5(10)3-6(11)13/h10H,3,9H2,1-2H3,(H2,11,13)(H,12,14)/p+1/b7-4-,10-5?
InChIKeyZIOOYEXWVLHGFP-IKACFYPVSA-O
MW199.23 g/mol
LogP-2.96
Rot. Bonds4

About [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium

[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium (PubChem CID 144517078) has the molecular formula C8H15N4O2+ and a molecular weight of 199.23 g/mol. Its IUPAC name is [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium.

Molecular Properties

Compound Name[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium
PubChem CID144517078
Molecular FormulaC8H15N4O2+
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Name[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium
SMILESCNC(=O)/C(C(=[NH2+])CC(N)=O)=C(/C)N
InChIInChI=1S/C8H14N4O2/c1-4(9)7(8(14)12-2)5(10)3-6(11)13/h10H,3,9H2,1-2H3,(H2,11,13)(H,12,14)/p+1/b7-4-,10-5?
InChIKeyZIOOYEXWVLHGFP-IKACFYPVSA-O
XLogP-2.96
TPSA123.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-2.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium?
The IUPAC name of [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium (CID 144517078) is [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium.
What is the SMILES notation for [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium?
The canonical SMILES for [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium is CNC(=O)/C(C(=[NH2+])CC(N)=O)=C(/C)N.
What is the InChIKey of [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium?
The InChIKey is ZIOOYEXWVLHGFP-IKACFYPVSA-O. The full InChI is InChI=1S/C8H14N4O2/c1-4(9)7(8(14)12-2)5(10)3-6(11)13/h10H,3,9H2,1-2H3,(H2,11,13)(H,12,14)/p+1/b7-4-,10-5?.
What are the key properties of [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium?
[(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium has a molecular weight of 199.23 g/mol, XLogP of -2.96, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,5-diamino-4-(methylcarbamoyl)-1-oxohex-4-en-3-ylidene]azanium is sourced from PubChem (CID 144517078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).