1-(3-azido-4-methylphenyl)pyrrolidin-2-one

C11H12N4O — CID 169324833

IUPAC1-(3-azido-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1N=[N+]=[N-]
InChIInChI=1S/C11H12N4O/c1-8-4-5-9(7-10(8)13-14-12)15-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3
InChIKeyLLDQNPKODQZBTO-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.06
Rot. Bonds2

About 1-(3-azido-4-methylphenyl)pyrrolidin-2-one

1-(3-azido-4-methylphenyl)pyrrolidin-2-one (PubChem CID 169324833) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(3-azido-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-azido-4-methylphenyl)pyrrolidin-2-one
PubChem CID169324833
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(3-azido-4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CCCC2=O)cc1N=[N+]=[N-]
InChIInChI=1S/C11H12N4O/c1-8-4-5-9(7-10(8)13-14-12)15-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3
InChIKeyLLDQNPKODQZBTO-UHFFFAOYSA-N
XLogP3.06
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.06
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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Related Compounds

1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine
CID 168601988
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
4-azido-2,5-bis(2-oxopyrrolidin-1-yl)benzoic acid
CID 166756897
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137630
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
CID 68824082
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
2-methyl-5-(2-oxopyrrolidin-1-yl)-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 16673933

Frequently Asked Questions

What is the IUPAC name of 1-(3-azido-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-azido-4-methylphenyl)pyrrolidin-2-one (CID 169324833) is 1-(3-azido-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-azido-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-azido-4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2CCCC2=O)cc1N=[N+]=[N-].
What is the InChIKey of 1-(3-azido-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is LLDQNPKODQZBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-4-5-9(7-10(8)13-14-12)15-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(3-azido-4-methylphenyl)pyrrolidin-2-one?
1-(3-azido-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azido-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 169324833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).