3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one

C12H17N3O2 — CID 23052513

IUPAC3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
SMILESCC1CN(OCc2ccccc2)C(=O)C1NN
InChIInChI=1S/C12H17N3O2/c1-9-7-15(12(16)11(9)14-13)17-8-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8,13H2,1H3
InChIKeyPNYFBPHREQIDOH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.43
Rot. Bonds4

About 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one

3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one (PubChem CID 23052513) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
PubChem CID23052513
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one
SMILESCC1CN(OCc2ccccc2)C(=O)C1NN
InChIInChI=1S/C12H17N3O2/c1-9-7-15(12(16)11(9)14-13)17-8-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8,13H2,1H3
InChIKeyPNYFBPHREQIDOH-UHFFFAOYSA-N
XLogP0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
3-(2-phenylethyl)-1-phenylmethoxyazetidin-2-one
CID 118225756
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
CID 14198894
1-phenylmethoxyazetidin-3-amine
CID 162036959
N,3-dimethyl-1-phenylmethoxypiperidin-4-amine
CID 130653478
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882
5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
CID 141490846
methyl 1-benzyl-4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 74066079

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one (CID 23052513) is 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one is CC1CN(OCc2ccccc2)C(=O)C1NN.
What is the InChIKey of 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is PNYFBPHREQIDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-7-15(12(16)11(9)14-13)17-8-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8,13H2,1H3.
What are the key properties of 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one?
3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-methyl-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 23052513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).