4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one

C8H15N3O — CID 158110382

IUPAC4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one
SMILESC1=NCCN1.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H6N2/c1-6-4-2-3-5(6)7;1-2-5-3-4-1/h2-4H2,1H3;3H,1-2H2,(H,4,5)
InChIKeyFQIXVQJJZLCMDQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.14
Rot. Bonds

About 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one

4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one (PubChem CID 158110382) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one
PubChem CID158110382
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one
SMILESC1=NCCN1.CN1CCCC1=O
InChIInChI=1S/C5H9NO.C3H6N2/c1-6-4-2-3-5(6)7;1-2-5-3-4-1/h2-4H2,1H3;3H,1-2H2,(H,4,5)
InChIKeyFQIXVQJJZLCMDQ-UHFFFAOYSA-N
XLogP-0.14
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one?
The IUPAC name of 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one (CID 158110382) is 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one?
The canonical SMILES for 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one is C1=NCCN1.CN1CCCC1=O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one?
The InChIKey is FQIXVQJJZLCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C3H6N2/c1-6-4-2-3-5(6)7;1-2-5-3-4-1/h2-4H2,1H3;3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one?
4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;1-methylpyrrolidin-2-one is sourced from PubChem (CID 158110382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).