4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one

C14H16N4O — CID 168658146

IUPAC4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccccc2C2CC2)C1
InChIInChI=1S/C14H16N4O/c15-17-16-8-10-7-14(19)18(9-10)13-4-2-1-3-12(13)11-5-6-11/h1-4,10-11H,5-9H2
InChIKeyCXXZYPJFYGRCQN-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.23
Rot. Bonds4

About 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one

4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one (PubChem CID 168658146) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
PubChem CID168658146
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one
SMILES[N-]=[N+]=NCC1CC(=O)N(c2ccccc2C2CC2)C1
InChIInChI=1S/C14H16N4O/c15-17-16-8-10-7-14(19)18(9-10)13-4-2-1-3-12(13)11-5-6-11/h1-4,10-11H,5-9H2
InChIKeyCXXZYPJFYGRCQN-UHFFFAOYSA-N
XLogP3.23
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.23
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

4-(azidomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 168656777
4-(azidomethyl)-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168658001
4-(azidomethyl)-1-[2-(methylamino)phenyl]pyrrolidin-2-one
CID 168656259
4-(azidomethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 168656468
4-(azidomethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658142
4-(azidomethyl)-1-(2-bromo-3-chlorophenyl)pyrrolidin-2-one
CID 168658393
4-(azidomethyl)-1-[2-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168658155
[1-(2-cyclopropylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682896
4-(azidomethyl)-1-[2-(2-fluoroethoxy)phenyl]pyrrolidin-2-one
CID 168658012
4-(azidomethyl)-1-[2-(phenoxymethyl)phenyl]pyrrolidin-2-one
CID 168658165
4-(azidomethyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168658023
4-(azidomethyl)-1-(2-methylquinolin-4-yl)pyrrolidin-2-one
CID 168657014

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one (CID 168658146) is 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one is [N-]=[N+]=NCC1CC(=O)N(c2ccccc2C2CC2)C1.
What is the InChIKey of 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one?
The InChIKey is CXXZYPJFYGRCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-17-16-8-10-7-14(19)18(9-10)13-4-2-1-3-12(13)11-5-6-11/h1-4,10-11H,5-9H2.
What are the key properties of 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one?
4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-(2-cyclopropylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168658146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).