1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one

C8H13N3O — CID 14721965

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1=NCCN1
InChIInChI=1S/C8H13N3O/c12-8-2-1-5-11(8)6-7-9-3-4-10-7/h1-6H2,(H,9,10)
InChIKeyFACSTEMTDFHPCQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.39
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one (PubChem CID 14721965) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one
PubChem CID14721965
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC1=NCCN1
InChIInChI=1S/C8H13N3O/c12-8-2-1-5-11(8)6-7-9-3-4-10-7/h1-6H2,(H,9,10)
InChIKeyFACSTEMTDFHPCQ-UHFFFAOYSA-N
XLogP-0.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one (CID 14721965) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one is O=C1CCCN1CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is FACSTEMTDFHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-2-1-5-11(8)6-7-9-3-4-10-7/h1-6H2,(H,9,10).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 14721965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).