N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide

C14H17N5O2 — CID 168655968

IUPACN-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C14H17N5O2/c1-10(20)18(2)12-3-5-13(6-4-12)19-9-11(7-14(19)21)8-16-17-15/h3-6,11H,7-9H2,1-2H3
InChIKeyFANDJBNMFBPUQF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.33
Rot. Bonds4

About N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide

N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide (PubChem CID 168655968) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
PubChem CID168655968
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1
InChIInChI=1S/C14H17N5O2/c1-10(20)18(2)12-3-5-13(6-4-12)19-9-11(7-14(19)21)8-16-17-15/h3-6,11H,7-9H2,1-2H3
InChIKeyFANDJBNMFBPUQF-UHFFFAOYSA-N
XLogP2.33
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
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

N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168662022
4-(azidomethyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 168656715
4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chloro-N,N-dimethylbenzamide
CID 168656199
4-(azidomethyl)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168655876
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168655984
butyl 4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168656033
4-(azidomethyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168656677
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(azidomethyl)-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidin-2-one
CID 168658342
methyl 1-[4-[acetyl(methyl)amino]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693024
4-(azidomethyl)-1-(2,6-dimethyl-4-pyridinyl)pyrrolidin-2-one
CID 168656894
4-(azidomethyl)-1-(4-prop-2-ynoxyphenyl)pyrrolidin-2-one
CID 168655792

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide (CID 168655968) is N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(N2CC(CN=[N+]=[N-])CC2=O)cc1.
What is the InChIKey of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
The InChIKey is FANDJBNMFBPUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10(20)18(2)12-3-5-13(6-4-12)19-9-11(7-14(19)21)8-16-17-15/h3-6,11H,7-9H2,1-2H3.
What are the key properties of N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide?
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide has a molecular weight of 287.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 168655968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).