4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one

C10H13N3O — CID 66140674

IUPAC4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
SMILESO=C1CC(c2cncn2C2CC2)CN1
InChIInChI=1S/C10H13N3O/c14-10-3-7(4-12-10)9-5-11-6-13(9)8-1-2-8/h5-8H,1-4H2,(H,12,14)
InChIKeyOHCFIWVHXJDNDT-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.82
Rot. Bonds2

About 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one

4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 66140674) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
PubChem CID66140674
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
SMILESO=C1CC(c2cncn2C2CC2)CN1
InChIInChI=1S/C10H13N3O/c14-10-3-7(4-12-10)9-5-11-6-13(9)8-1-2-8/h5-8H,1-4H2,(H,12,14)
InChIKeyOHCFIWVHXJDNDT-UHFFFAOYSA-N
XLogP0.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-pyrrolidin-2-one
CID 15021363
2-Amino-3-(1H-imidazol-4-yl)-1-piperidin-1-yl-propan-1-one
CID 44328318
1-[3-(2-cyclopropyl-1H-4-imidazolyl)-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide
CID 11235037
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-one
CID 15021362
1-Methyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide
CID 16066773
5-Oxo-D-prolyl-1-methyl-L-histidyl-L-prolinamide
CID 44286893
1-Ethyl-N-{[(2S)-6-oxo-2-piperidinyl]carbonyl}-L-histidyl-L-prolinamide
CID 44422168
5-Oxo-L-prolyl-2-chloro-1-methyl-L-histidyl-L-prolinamide
CID 127032257
(S)-2-amino-3-(1H-imidazol-4-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 11321743
2-Amino-3-(1H-imidazol-4-yl)-1-pyrrolidin-1-yl-propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one (CID 66140674) is 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one is O=C1CC(c2cncn2C2CC2)CN1.
What is the InChIKey of 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is OHCFIWVHXJDNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-10-3-7(4-12-10)9-5-11-6-13(9)8-1-2-8/h5-8H,1-4H2,(H,12,14).
What are the key properties of 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one?
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 66140674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).