4,5-dihydro-1H-imidazole;2-methylidenebutanamide

C8H15N3O — CID 175355047

IUPAC4,5-dihydro-1H-imidazole;2-methylidenebutanamide
SMILESC1=NCCN1.C=C(CC)C(N)=O
InChIInChI=1S/C5H9NO.C3H6N2/c1-3-4(2)5(6)7;1-2-5-3-4-1/h2-3H2,1H3,(H2,6,7);3H,1-2H2,(H,4,5)
InChIKeyNRKFLGWCEYLHRW-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.06
Rot. Bonds2

About 4,5-dihydro-1H-imidazole;2-methylidenebutanamide

4,5-dihydro-1H-imidazole;2-methylidenebutanamide (PubChem CID 175355047) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;2-methylidenebutanamide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;2-methylidenebutanamide
PubChem CID175355047
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4,5-dihydro-1H-imidazole;2-methylidenebutanamide
SMILESC1=NCCN1.C=C(CC)C(N)=O
InChIInChI=1S/C5H9NO.C3H6N2/c1-3-4(2)5(6)7;1-2-5-3-4-1/h2-3H2,1H3,(H2,6,7);3H,1-2H2,(H,4,5)
InChIKeyNRKFLGWCEYLHRW-UHFFFAOYSA-N
XLogP0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.06
H-Bond Donors ≤ 52
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 4,5-dihydro-1H-imidazole;2-methylidenebutanamide?
The IUPAC name of 4,5-dihydro-1H-imidazole;2-methylidenebutanamide (CID 175355047) is 4,5-dihydro-1H-imidazole;2-methylidenebutanamide.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;2-methylidenebutanamide?
The canonical SMILES for 4,5-dihydro-1H-imidazole;2-methylidenebutanamide is C1=NCCN1.C=C(CC)C(N)=O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;2-methylidenebutanamide?
The InChIKey is NRKFLGWCEYLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H6N2/c1-3-4(2)5(6)7;1-2-5-3-4-1/h2-3H2,1H3,(H2,6,7);3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;2-methylidenebutanamide?
4,5-dihydro-1H-imidazole;2-methylidenebutanamide has a molecular weight of 169.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;2-methylidenebutanamide is sourced from PubChem (CID 175355047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).