4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one

C14H18N4O2 — CID 168655705

IUPAC4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C(CO)Cc2ccccc2)C1
InChIInChI=1S/C14H18N4O2/c15-17-16-8-12-7-14(20)18(9-12)13(10-19)6-11-4-2-1-3-5-11/h1-5,12-13,19H,6-10H2
InChIKeyFPUDTQQJQAWTBF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.75
Rot. Bonds6

About 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one

4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one (PubChem CID 168655705) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
PubChem CID168655705
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(C(CO)Cc2ccccc2)C1
InChIInChI=1S/C14H18N4O2/c15-17-16-8-12-7-14(20)18(9-12)13(10-19)6-11-4-2-1-3-5-11/h1-5,12-13,19H,6-10H2
InChIKeyFPUDTQQJQAWTBF-UHFFFAOYSA-N
XLogP1.75
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168503437
1-(1-hydroxy-3-phenylpropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168707836
(2S)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-(4-methylphenyl)propanoic acid
CID 168655640
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(2-bromophenyl)acetic acid
CID 168655650
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
CID 168655684
(2R)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
CID 168655742
4-(azidomethyl)-1-(2,2-diphenylethyl)pyrrolidin-2-one
CID 168657119
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
CID 168655610
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168655566
(2S,3R)-2-hydroxy-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168661551
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168655595

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one (CID 168655705) is 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(C(CO)Cc2ccccc2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
The InChIKey is FPUDTQQJQAWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-17-16-8-12-7-14(20)18(9-12)13(10-19)6-11-4-2-1-3-5-11/h1-5,12-13,19H,6-10H2.
What are the key properties of 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168655705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).