4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one

C15H20N4O3 — CID 168655610

IUPAC4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
SMILESCOc1ccc(C(CCO)N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C15H20N4O3/c1-22-13-4-2-12(3-5-13)14(6-7-20)19-10-11(8-15(19)21)9-17-18-16/h2-5,11,14,20H,6-10H2,1H3
InChIKeyWUGAKABVJUUFME-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.28
Rot. Bonds7

About 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one

4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one (PubChem CID 168655610) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
PubChem CID168655610
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
SMILESCOc1ccc(C(CCO)N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C15H20N4O3/c1-22-13-4-2-12(3-5-13)14(6-7-20)19-10-11(8-15(19)21)9-17-18-16/h2-5,11,14,20H,6-10H2,1H3
InChIKeyWUGAKABVJUUFME-UHFFFAOYSA-N
XLogP2.28
TPSA98.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]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

1-[3-hydroxy-1-(4-methoxyphenyl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716577
4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
CID 168655684
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(4-methoxyphenyl)propanoic acid
CID 168506661
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168655595
(2R)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
CID 168655742
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
(3S)-3-(azidomethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 165384332
4-chloro-1-[3-hydroxy-1-(4-methylphenyl)propyl]pyrrolidin-2-one
CID 168687009
4-amino-1-(3-hydroxy-1-phenylpropyl)pyrrolidin-2-one
CID 168698922
3-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 168701581
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168655566

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one (CID 168655610) is 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one is COc1ccc(C(CCO)N2CC(CN=[N+]=[N-])CC2=O)cc1.
What is the InChIKey of 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one?
The InChIKey is WUGAKABVJUUFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-13-4-2-12(3-5-13)14(6-7-20)19-10-11(8-15(19)21)9-17-18-16/h2-5,11,14,20H,6-10H2,1H3.
What are the key properties of 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168655610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).