(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide

C10H17N3O — CID 121329897

IUPAC(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
SMILESC/N=C(C)/C=C(/C)N/C=C\CC(N)=O
InChIInChI=1S/C10H17N3O/c1-8(12-3)7-9(2)13-6-4-5-10(11)14/h4,6-7,13H,5H2,1-3H3,(H2,11,14)/b6-4-,9-7-,12-8+
InChIKeyCNBIRRRQUCYWRY-KTYTUYICSA-N
MW195.27 g/mol
LogP0.96
Rot. Bonds5

About (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide

(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide (PubChem CID 121329897) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide.

Molecular Properties

Compound Name(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
PubChem CID121329897
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide
SMILESC/N=C(C)/C=C(/C)N/C=C\CC(N)=O
InChIInChI=1S/C10H17N3O/c1-8(12-3)7-9(2)13-6-4-5-10(11)14/h4,6-7,13H,5H2,1-3H3,(H2,11,14)/b6-4-,9-7-,12-8+
InChIKeyCNBIRRRQUCYWRY-KTYTUYICSA-N
XLogP0.96
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.96
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)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide?
The IUPAC name of (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide (CID 121329897) is (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide.
What is the SMILES notation for (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide?
The canonical SMILES for (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide is C/N=C(C)/C=C(/C)N/C=C\CC(N)=O.
What is the InChIKey of (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide?
The InChIKey is CNBIRRRQUCYWRY-KTYTUYICSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(12-3)7-9(2)13-6-4-5-10(11)14/h4,6-7,13H,5H2,1-3H3,(H2,11,14)/b6-4-,9-7-,12-8+.
What are the key properties of (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide?
(Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide has a molecular weight of 195.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[[(Z)-4-methyliminopent-2-en-2-yl]amino]but-3-enamide is sourced from PubChem (CID 121329897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).