N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide

C7H11N3O2 — CID 3021104

IUPACN-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1CCNC1=O
InChIInChI=1S/C7H11N3O2/c1-2-6(11)9-5-10-4-3-8-7(10)12/h2H,1,3-5H2,(H,8,12)(H,9,11)
InChIKeyDJPBBQRCUOFFKU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.73
Rot. Bonds3

About N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide

N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide (PubChem CID 3021104) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
PubChem CID3021104
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1CCNC1=O
InChIInChI=1S/C7H11N3O2/c1-2-6(11)9-5-10-4-3-8-7(10)12/h2H,1,3-5H2,(H,8,12)(H,9,11)
InChIKeyDJPBBQRCUOFFKU-UHFFFAOYSA-N
XLogP-0.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.73
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 N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide (CID 3021104) is N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide is C=CC(=O)NCN1CCNC1=O.
What is the InChIKey of N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
The InChIKey is DJPBBQRCUOFFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-6(11)9-5-10-4-3-8-7(10)12/h2H,1,3-5H2,(H,8,12)(H,9,11).
What are the key properties of N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide?
N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide has a molecular weight of 169.18 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 3021104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).