4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one

C14H17ClN4O — CID 168655913

IUPAC4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one
SMILESCC(C)(c1ccc(Cl)cc1)N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C14H17ClN4O/c1-14(2,11-3-5-12(15)6-4-11)19-9-10(7-13(19)20)8-17-18-16/h3-6,10H,7-9H2,1-2H3
InChIKeyMWCDXBAWDDNFFR-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.73
Rot. Bonds4

About 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one

4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one (PubChem CID 168655913) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one
PubChem CID168655913
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one
SMILESCC(C)(c1ccc(Cl)cc1)N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C14H17ClN4O/c1-14(2,11-3-5-12(15)6-4-11)19-9-10(7-13(19)20)8-17-18-16/h3-6,10H,7-9H2,1-2H3
InChIKeyMWCDXBAWDDNFFR-UHFFFAOYSA-N
XLogP3.73
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one (CID 168655913) is 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one is CC(C)(c1ccc(Cl)cc1)N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one?
The InChIKey is MWCDXBAWDDNFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-14(2,11-3-5-12(15)6-4-11)19-9-10(7-13(19)20)8-17-18-16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one?
4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one has a molecular weight of 292.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[2-(4-chlorophenyl)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168655913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).