(NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide

C15H16BrN3O — CID 153390304

IUPAC(NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide
SMILESC=C/N=C(\N=C/C)N1C(=O)C(C)(C)c2c(Br)cccc21
InChIInChI=1S/C15H16BrN3O/c1-5-17-14(18-6-2)19-11-9-7-8-10(16)12(11)15(3,4)13(19)20/h5-9H,1H2,2-4H3/b17-14+,18-6-
InChIKeyLTPYBGSTZFCPPA-FCTGSSPJSA-N
MW334.22 g/mol
LogP3.66
Rot. Bonds1

About (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide

(NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide (PubChem CID 153390304) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide
PubChem CID153390304
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name(NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide
SMILESC=C/N=C(\N=C/C)N1C(=O)C(C)(C)c2c(Br)cccc21
InChIInChI=1S/C15H16BrN3O/c1-5-17-14(18-6-2)19-11-9-7-8-10(16)12(11)15(3,4)13(19)20/h5-9H,1H2,2-4H3/b17-14+,18-6-
InChIKeyLTPYBGSTZFCPPA-FCTGSSPJSA-N
XLogP3.66
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide?
The IUPAC name of (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide (CID 153390304) is (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide.
What is the SMILES notation for (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide?
The canonical SMILES for (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide is C=C/N=C(\N=C/C)N1C(=O)C(C)(C)c2c(Br)cccc21.
What is the InChIKey of (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide?
The InChIKey is LTPYBGSTZFCPPA-FCTGSSPJSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-5-17-14(18-6-2)19-11-9-7-8-10(16)12(11)15(3,4)13(19)20/h5-9H,1H2,2-4H3/b17-14+,18-6-.
What are the key properties of (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide?
(NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide has a molecular weight of 334.22 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-4-bromo-N'-ethenyl-N-ethylidene-3,3-dimethyl-2-oxoindole-1-carboximidamide is sourced from PubChem (CID 153390304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).