(E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide

C12H21N3O — CID 90248670

IUPAC(E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide
SMILES[H]/N=C(\C=C/CC)N(C)/C=C/CCC(=O)NC
InChIInChI=1S/C12H21N3O/c1-4-5-8-11(13)15(3)10-7-6-9-12(16)14-2/h5,7-8,10,13H,4,6,9H2,1-3H3,(H,14,16)/b8-5-,10-7+,13-11+
InChIKeyFFBDSRRKIPODJJ-SITMHONXSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds6

About (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide

(E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide (PubChem CID 90248670) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide.

Molecular Properties

Compound Name(E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide
PubChem CID90248670
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide
SMILES[H]/N=C(\C=C/CC)N(C)/C=C/CCC(=O)NC
InChIInChI=1S/C12H21N3O/c1-4-5-8-11(13)15(3)10-7-6-9-12(16)14-2/h5,7-8,10,13H,4,6,9H2,1-3H3,(H,14,16)/b8-5-,10-7+,13-11+
InChIKeyFFBDSRRKIPODJJ-SITMHONXSA-N
XLogP1.90
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide?
The IUPAC name of (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide (CID 90248670) is (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide.
What is the SMILES notation for (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide?
The canonical SMILES for (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide is [H]/N=C(\C=C/CC)N(C)/C=C/CCC(=O)NC.
What is the InChIKey of (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide?
The InChIKey is FFBDSRRKIPODJJ-SITMHONXSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-8-11(13)15(3)10-7-6-9-12(16)14-2/h5,7-8,10,13H,4,6,9H2,1-3H3,(H,14,16)/b8-5-,10-7+,13-11+.
What are the key properties of (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide?
(E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide has a molecular weight of 223.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-5-[methyl-[(Z)-pent-2-enimidoyl]amino]pent-4-enamide is sourced from PubChem (CID 90248670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).