(E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide

C9H15N3O2 — CID 6437825

IUPAC(E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCN1CCNC1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)/b3-2+
InChIKeyVCBCPCANDXGMPG-NSCUHMNNSA-N
MW197.24 g/mol
LogP-0.30
Rot. Bonds4

About (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide

(E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide (PubChem CID 6437825) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide
PubChem CID6437825
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCN1CCNC1=O
InChIInChI=1S/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)/b3-2+
InChIKeyVCBCPCANDXGMPG-NSCUHMNNSA-N
XLogP-0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide (CID 6437825) is (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide is C/C=C/C(=O)NCCN1CCNC1=O.
What is the InChIKey of (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide?
The InChIKey is VCBCPCANDXGMPG-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-8(13)10-4-6-12-7-5-11-9(12)14/h2-3H,4-7H2,1H3,(H,10,13)(H,11,14)/b3-2+.
What are the key properties of (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide?
(E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide has a molecular weight of 197.24 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]but-2-enamide is sourced from PubChem (CID 6437825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).