(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane

C10H19N3O2 — CID 155582695

IUPAC(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane
SMILESCCC.[H]/N=C/C(C)=C(\N)CC(=O)NC=O
InChIInChI=1S/C7H11N3O2.C3H8/c1-5(3-8)6(9)2-7(12)10-4-11;1-3-2/h3-4,8H,2,9H2,1H3,(H,10,11,12);3H2,1-2H3/b6-5-,8-3+;
InChIKeyIJFACBFFWUEVHC-TWFGYXESSA-N
MW213.28 g/mol
LogP0.95
Rot. Bonds4

About (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane

(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane (PubChem CID 155582695) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane.

Molecular Properties

Compound Name(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane
PubChem CID155582695
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane
SMILESCCC.[H]/N=C/C(C)=C(\N)CC(=O)NC=O
InChIInChI=1S/C7H11N3O2.C3H8/c1-5(3-8)6(9)2-7(12)10-4-11;1-3-2/h3-4,8H,2,9H2,1H3,(H,10,11,12);3H2,1-2H3/b6-5-,8-3+;
InChIKeyIJFACBFFWUEVHC-TWFGYXESSA-N
XLogP0.95
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane?
The IUPAC name of (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane (CID 155582695) is (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane.
What is the SMILES notation for (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane?
The canonical SMILES for (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane is CCC.[H]/N=C/C(C)=C(\N)CC(=O)NC=O.
What is the InChIKey of (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane?
The InChIKey is IJFACBFFWUEVHC-TWFGYXESSA-N. The full InChI is InChI=1S/C7H11N3O2.C3H8/c1-5(3-8)6(9)2-7(12)10-4-11;1-3-2/h3-4,8H,2,9H2,1H3,(H,10,11,12);3H2,1-2H3/b6-5-,8-3+;.
What are the key properties of (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane?
(Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane has a molecular weight of 213.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-formyl-5-imino-4-methylpent-3-enamide;propane is sourced from PubChem (CID 155582695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).