(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide

C10H20N4O3 — CID 142767838

IUPAC(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide
SMILESCN(C)CCOCCNNC(=O)/C=C/C(N)=O
InChIInChI=1S/C10H20N4O3/c1-14(2)6-8-17-7-5-12-13-10(16)4-3-9(11)15/h3-4,12H,5-8H2,1-2H3,(H2,11,15)(H,13,16)/b4-3+
InChIKeyRRUNGUCPDQIZHN-ONEGZZNKSA-N
MW244.29 g/mol
LogP-1.77
Rot. Bonds9

About (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide

(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide (PubChem CID 142767838) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide
PubChem CID142767838
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide
SMILESCN(C)CCOCCNNC(=O)/C=C/C(N)=O
InChIInChI=1S/C10H20N4O3/c1-14(2)6-8-17-7-5-12-13-10(16)4-3-9(11)15/h3-4,12H,5-8H2,1-2H3,(H2,11,15)(H,13,16)/b4-3+
InChIKeyRRUNGUCPDQIZHN-ONEGZZNKSA-N
XLogP-1.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide?
The IUPAC name of (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide (CID 142767838) is (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide.
What is the SMILES notation for (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide?
The canonical SMILES for (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide is CN(C)CCOCCNNC(=O)/C=C/C(N)=O.
What is the InChIKey of (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide?
The InChIKey is RRUNGUCPDQIZHN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-14(2)6-8-17-7-5-12-13-10(16)4-3-9(11)15/h3-4,12H,5-8H2,1-2H3,(H2,11,15)(H,13,16)/b4-3+.
What are the key properties of (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide?
(E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide has a molecular weight of 244.29 g/mol, XLogP of -1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[2-[2-(dimethylamino)ethoxy]ethyl]hydrazinyl]-4-oxobut-2-enamide is sourced from PubChem (CID 142767838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).