4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one

C6H8ClN5O — CID 168688452

IUPAC4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
SMILESCn1nnc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C6H8ClN5O/c1-11-9-6(8-10-11)12-3-4(7)2-5(12)13/h4H,2-3H2,1H3
InChIKeyIMXVKSHSMUDNPC-UHFFFAOYSA-N
MW201.62 g/mol
LogP-0.45
Rot. Bonds1

About 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one

4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one (PubChem CID 168688452) has the molecular formula C6H8ClN5O and a molecular weight of 201.62 g/mol. Its IUPAC name is 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
PubChem CID168688452
Molecular FormulaC6H8ClN5O
Molecular Weight201.62 g/mol
Exact Mass201.04
IUPAC Name4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
SMILESCn1nnc(N2CC(Cl)CC2=O)n1
InChIInChI=1S/C6H8ClN5O/c1-11-9-6(8-10-11)12-3-4(7)2-5(12)13/h4H,2-3H2,1H3
InChIKeyIMXVKSHSMUDNPC-UHFFFAOYSA-N
XLogP-0.45
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one
CID 168702817
ethyl 1-(2-methyltetrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 50879826
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 168688173
4-chloro-1-(4-chloro-6-methoxypyrimidin-2-yl)pyrrolidin-2-one
CID 168687885
(3R)-5-oxo-1-(2-propyltetrazol-5-yl)pyrrolidine-3-carbonyl chloride
CID 94068617
4-chloro-1-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 168688096
4-chloro-1-(4-hydroxy-2,6-dimethylphenyl)pyrrolidin-2-one
CID 168688290
1-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-chloropyrrolidin-2-one
CID 168690046
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905
1-(3-amino-4-methyl-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168688168
ethyl 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3,4-oxadiazole-2-carboxylate
CID 168687503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one (CID 168688452) is 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one is Cn1nnc(N2CC(Cl)CC2=O)n1.
What is the InChIKey of 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
The InChIKey is IMXVKSHSMUDNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5O/c1-11-9-6(8-10-11)12-3-4(7)2-5(12)13/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one?
4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one has a molecular weight of 201.62 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methyltetrazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168688452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).