2-(4,5-dihydro-1H-imidazol-2-yl)propanamide

C6H11N3O — CID 69194733

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)propanamide
SMILESCC(C(N)=O)C1=NCCN1
InChIInChI=1S/C6H11N3O/c1-4(5(7)10)6-8-2-3-9-6/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyPPLXHKKRGLJWSJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.89
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide

2-(4,5-dihydro-1H-imidazol-2-yl)propanamide (PubChem CID 69194733) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)propanamide
PubChem CID69194733
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)propanamide
SMILESCC(C(N)=O)C1=NCCN1
InChIInChI=1S/C6H11N3O/c1-4(5(7)10)6-8-2-3-9-6/h4H,2-3H2,1H3,(H2,7,10)(H,8,9)
InChIKeyPPLXHKKRGLJWSJ-UHFFFAOYSA-N
XLogP-0.89
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide (CID 69194733) is 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide is CC(C(N)=O)C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide?
The InChIKey is PPLXHKKRGLJWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(5(7)10)6-8-2-3-9-6/h4H,2-3H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide?
2-(4,5-dihydro-1H-imidazol-2-yl)propanamide has a molecular weight of 141.17 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 69194733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).