4-amino-2-methyliminopent-3-enamide

C6H11N3O — CID 147756320

IUPAC4-amino-2-methyliminopent-3-enamide
SMILESC/N=C(\C=C(C)N)C(N)=O
InChIInChI=1S/C6H11N3O/c1-4(7)3-5(9-2)6(8)10/h3H,7H2,1-2H3,(H2,8,10)/b4-3?,9-5+
InChIKeyHHKSZAKFXFQBKE-TZQDUXOXSA-N
MW141.17 g/mol
LogP-0.60
Rot. Bonds2

About 4-amino-2-methyliminopent-3-enamide

4-amino-2-methyliminopent-3-enamide (PubChem CID 147756320) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-2-methyliminopent-3-enamide.

Molecular Properties

Compound Name4-amino-2-methyliminopent-3-enamide
PubChem CID147756320
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-amino-2-methyliminopent-3-enamide
SMILESC/N=C(\C=C(C)N)C(N)=O
InChIInChI=1S/C6H11N3O/c1-4(7)3-5(9-2)6(8)10/h3H,7H2,1-2H3,(H2,8,10)/b4-3?,9-5+
InChIKeyHHKSZAKFXFQBKE-TZQDUXOXSA-N
XLogP-0.60
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.60
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 4-amino-2-methyliminopent-3-enamide?
The IUPAC name of 4-amino-2-methyliminopent-3-enamide (CID 147756320) is 4-amino-2-methyliminopent-3-enamide.
What is the SMILES notation for 4-amino-2-methyliminopent-3-enamide?
The canonical SMILES for 4-amino-2-methyliminopent-3-enamide is C/N=C(\C=C(C)N)C(N)=O.
What is the InChIKey of 4-amino-2-methyliminopent-3-enamide?
The InChIKey is HHKSZAKFXFQBKE-TZQDUXOXSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(7)3-5(9-2)6(8)10/h3H,7H2,1-2H3,(H2,8,10)/b4-3?,9-5+.
What are the key properties of 4-amino-2-methyliminopent-3-enamide?
4-amino-2-methyliminopent-3-enamide has a molecular weight of 141.17 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyliminopent-3-enamide is sourced from PubChem (CID 147756320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).