3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one

C17H24N4O2 — CID 59373411

IUPAC3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
SMILESCC1(C)CC(CCCOCc2ccccc2)(CN=[N+]=[N-])C(=O)N1
InChIInChI=1S/C17H24N4O2/c1-16(2)12-17(13-19-21-18,15(22)20-16)9-6-10-23-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,20,22)
InChIKeyAOJVNXMSKFNYRG-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.58
Rot. Bonds8

About 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one

3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one (PubChem CID 59373411) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
PubChem CID59373411
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
SMILESCC1(C)CC(CCCOCc2ccccc2)(CN=[N+]=[N-])C(=O)N1
InChIInChI=1S/C17H24N4O2/c1-16(2)12-17(13-19-21-18,15(22)20-16)9-6-10-23-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,20,22)
InChIKeyAOJVNXMSKFNYRG-UHFFFAOYSA-N
XLogP3.58
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Hydroxymethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
CID 59373349
Ethyl 5,5-dimethyl-2-oxo-3-(3-phenylmethoxypropyl)pyrrolidine-3-carboxylate
CID 59373464
4-[2-(Benzyloxy)ethyl]pyrrolidin-2-one
CID 67116747
benzyl (3R)-3-amino-5-(tert-butylamino)-5-oxopentanoate
CID 135298964
3-(Aminomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one
CID 143399199
(5R)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 146242729
3,3-Diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 146242730
(5S)-3,3-diethyl-5-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 146242769
N-(3-phenylmethoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 61363913
3-methyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 63141357
3-ethyl-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 63141358
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63144000

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
The IUPAC name of 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one (CID 59373411) is 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one is CC1(C)CC(CCCOCc2ccccc2)(CN=[N+]=[N-])C(=O)N1.
What is the InChIKey of 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
The InChIKey is AOJVNXMSKFNYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-16(2)12-17(13-19-21-18,15(22)20-16)9-6-10-23-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one?
3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-5,5-dimethyl-3-(3-phenylmethoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 59373411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).