tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate

C16H18N2O3 — CID 135071353

IUPACtert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
SMILESC=CCN1C(=O)/C(=N\C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H18N2O3/c1-5-10-18-12-9-7-6-8-11(12)13(14(18)19)17-15(20)21-16(2,3)4/h5-9H,1,10H2,2-4H3/b17-13-
InChIKeyAPCKAVNMECKFBK-LGMDPLHJSA-N
MW286.33 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate

tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate (PubChem CID 135071353) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
PubChem CID135071353
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate
SMILESC=CCN1C(=O)/C(=N\C(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H18N2O3/c1-5-10-18-12-9-7-6-8-11(12)13(14(18)19)17-15(20)21-16(2,3)4/h5-9H,1,10H2,2-4H3/b17-13-
InChIKeyAPCKAVNMECKFBK-LGMDPLHJSA-N
XLogP2.94
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate?
The IUPAC name of tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate (CID 135071353) is tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate?
The canonical SMILES for tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate is C=CCN1C(=O)/C(=N\C(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate?
The InChIKey is APCKAVNMECKFBK-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-5-10-18-12-9-7-6-8-11(12)13(14(18)19)17-15(20)21-16(2,3)4/h5-9H,1,10H2,2-4H3/b17-13-.
What are the key properties of tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate?
tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate has a molecular weight of 286.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-(2-oxo-1-prop-2-enylindol-3-ylidene)carbamate is sourced from PubChem (CID 135071353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).