4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one

C11H10ClN5O3 — CID 168657975

IUPAC4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C11H10ClN5O3/c12-9-4-8(17(19)20)1-2-10(9)16-6-7(3-11(16)18)5-14-15-13/h1-2,4,7H,3,5-6H2
InChIKeyGFIFJVAPZPIRSF-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.91
Rot. Bonds4

About 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one (PubChem CID 168657975) has the molecular formula C11H10ClN5O3 and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one
PubChem CID168657975
Molecular FormulaC11H10ClN5O3
Molecular Weight295.69 g/mol
Exact Mass295.05
IUPAC Name4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1
InChIInChI=1S/C11H10ClN5O3/c12-9-4-8(17(19)20)1-2-10(9)16-6-7(3-11(16)18)5-14-15-13/h1-2,4,7H,3,5-6H2
InChIKeyGFIFJVAPZPIRSF-UHFFFAOYSA-N
XLogP2.91
TPSA112.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-nitrophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657979
1-(2-chloro-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671730
1-(2-amino-5-chloro-4-nitrophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657576
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-chlorobenzonitrile
CID 168657932
methyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-chlorobenzoate
CID 168656288
4-(azidomethyl)-1-(2,4-dimethyl-5-nitrophenyl)pyrrolidin-2-one
CID 168656611
4-(azidomethyl)-1-(2,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CID 168656910
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393
4-(azidomethyl)-1-(4-fluoro-2-iodophenyl)pyrrolidin-2-one
CID 168657948
4-(azidomethyl)-1-(2-bromo-4-iodophenyl)pyrrolidin-2-one
CID 168657954
4-(azidomethyl)-1-(3,5-dichloro-2-fluorophenyl)pyrrolidin-2-one
CID 168658269

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one (CID 168657975) is 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ccc([N+](=O)[O-])cc2Cl)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is GFIFJVAPZPIRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3/c12-9-4-8(17(19)20)1-2-10(9)16-6-7(3-11(16)18)5-14-15-13/h1-2,4,7H,3,5-6H2.
What are the key properties of 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 295.69 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168657975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).