N-imidazolidin-2-ylprop-2-enamide

C6H11N3O — CID 68795650

IUPACN-imidazolidin-2-ylprop-2-enamide
SMILESC=CC(=O)NC1NCCN1
InChIInChI=1S/C6H11N3O/c1-2-5(10)9-6-7-3-4-8-6/h2,6-8H,1,3-4H2,(H,9,10)
InChIKeyRZGHYAAVIIFPCQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-1.24
Rot. Bonds2

About N-imidazolidin-2-ylprop-2-enamide

N-imidazolidin-2-ylprop-2-enamide (PubChem CID 68795650) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-imidazolidin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-imidazolidin-2-ylprop-2-enamide
PubChem CID68795650
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-imidazolidin-2-ylprop-2-enamide
SMILESC=CC(=O)NC1NCCN1
InChIInChI=1S/C6H11N3O/c1-2-5(10)9-6-7-3-4-8-6/h2,6-8H,1,3-4H2,(H,9,10)
InChIKeyRZGHYAAVIIFPCQ-UHFFFAOYSA-N
XLogP-1.24
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-imidazolidin-2-ylprop-2-enamide?
The IUPAC name of N-imidazolidin-2-ylprop-2-enamide (CID 68795650) is N-imidazolidin-2-ylprop-2-enamide.
What is the SMILES notation for N-imidazolidin-2-ylprop-2-enamide?
The canonical SMILES for N-imidazolidin-2-ylprop-2-enamide is C=CC(=O)NC1NCCN1.
What is the InChIKey of N-imidazolidin-2-ylprop-2-enamide?
The InChIKey is RZGHYAAVIIFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-5(10)9-6-7-3-4-8-6/h2,6-8H,1,3-4H2,(H,9,10).
What are the key properties of N-imidazolidin-2-ylprop-2-enamide?
N-imidazolidin-2-ylprop-2-enamide has a molecular weight of 141.17 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazolidin-2-ylprop-2-enamide is sourced from PubChem (CID 68795650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).