tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate

C15H16N2O4 — CID 138974953

IUPACtert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate
SMILESCC(=O)N1C(=O)/C(=N\C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H16N2O4/c1-9(18)17-11-8-6-5-7-10(11)12(13(17)19)16-14(20)21-15(2,3)4/h5-8H,1-4H3/b16-12-
InChIKeyPSGYZIWEZXJGHE-VBKFSLOCSA-N
MW288.30 g/mol
LogP2.30
Rot. Bonds

About tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate

tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate (PubChem CID 138974953) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate
PubChem CID138974953
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nametert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate
SMILESCC(=O)N1C(=O)/C(=N\C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C15H16N2O4/c1-9(18)17-11-8-6-5-7-10(11)12(13(17)19)16-14(20)21-15(2,3)4/h5-8H,1-4H3/b16-12-
InChIKeyPSGYZIWEZXJGHE-VBKFSLOCSA-N
XLogP2.30
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate?
The IUPAC name of tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate (CID 138974953) is tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate?
The canonical SMILES for tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate is CC(=O)N1C(=O)/C(=N\C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate?
The InChIKey is PSGYZIWEZXJGHE-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(18)17-11-8-6-5-7-10(11)12(13(17)19)16-14(20)21-15(2,3)4/h5-8H,1-4H3/b16-12-.
What are the key properties of tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate?
tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate has a molecular weight of 288.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate is sourced from PubChem (CID 138974953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).