(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one

C8H11N3O — CID 97031037

IUPAC(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
SMILESCn1cncc1[C@@H]1CNC(=O)C1
InChIInChI=1S/C8H11N3O/c1-11-5-9-4-7(11)6-2-8(12)10-3-6/h4-6H,2-3H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyHOOHRWVPXXPRMV-LURJTMIESA-N
MW165.20 g/mol
LogP0.02
Rot. Bonds1

About (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one

(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 97031037) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
PubChem CID97031037
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
SMILESCn1cncc1[C@@H]1CNC(=O)C1
InChIInChI=1S/C8H11N3O/c1-11-5-9-4-7(11)6-2-8(12)10-3-6/h4-6H,2-3H2,1H3,(H,10,12)/t6-/m0/s1
InChIKeyHOOHRWVPXXPRMV-LURJTMIESA-N
XLogP0.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one
CID 66118968
3-(3-methylimidazol-4-yl)piperazin-2-one
CID 66118830
4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
CID 66118016
4-amino-1-methyl-5-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 66118126
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
5-(1,3-dithian-2-yl)-1-methylimidazole
CID 19801340
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
CID 102567776
4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 130580485
4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
CID 143941392
(4S)-4-(1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 129498729

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one (CID 97031037) is (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one is Cn1cncc1[C@@H]1CNC(=O)C1.
What is the InChIKey of (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is HOOHRWVPXXPRMV-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-5-9-4-7(11)6-2-8(12)10-3-6/h4-6H,2-3H2,1H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one?
(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 97031037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).