N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide

C13H18N2O2 — CID 149436633

IUPACN-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC=CC1=CN(O)C(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-10(16)14-12-8-6-5-7-11(12)9-15(17)13(2,3)4/h5-9,17H,1-4H3/b11-9?,14-12+
InChIKeyFTOHXLZZCNMKSL-WWDOXWEBSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds1

About N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide

N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 149436633) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID149436633
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC=CC1=CN(O)C(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-10(16)14-12-8-6-5-7-11(12)9-15(17)13(2,3)4/h5-9,17H,1-4H3/b11-9?,14-12+
InChIKeyFTOHXLZZCNMKSL-WWDOXWEBSA-N
XLogP2.47
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (CID 149436633) is N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=CC=CC1=CN(O)C(C)(C)C.
What is the InChIKey of N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is FTOHXLZZCNMKSL-WWDOXWEBSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)14-12-8-6-5-7-11(12)9-15(17)13(2,3)4/h5-9,17H,1-4H3/b11-9?,14-12+.
What are the key properties of N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?
N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 234.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[tert-butyl(hydroxy)amino]methylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 149436633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).