tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate

C12H17N3O2 — CID 140873567

IUPACtert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(/C=N/N)cc1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-10-6-4-9(5-7-10)8-14-13/h4-8H,13H2,1-3H3,(H,15,16)/b14-8+
InChIKeyNBNZSRMOBMHZGU-RIYZIHGNSA-N
MW235.29 g/mol
LogP2.33
Rot. Bonds2

About tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate

tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate (PubChem CID 140873567) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate
PubChem CID140873567
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nametert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(/C=N/N)cc1
InChIInChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-10-6-4-9(5-7-10)8-14-13/h4-8H,13H2,1-3H3,(H,15,16)/b14-8+
InChIKeyNBNZSRMOBMHZGU-RIYZIHGNSA-N
XLogP2.33
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-[[carbamothioyl-(2,6-dimethylphenyl)hydrazinylidene]methyl]phenyl]carbamate
CID 175057023
tert-butyl N-[4-[(1E,6E)-7-(4-hydroxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]carbamate
CID 68551182
ethyl (E)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethenesulfonate
CID 10881983
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
4-bromoaniline;tert-butyl N-(4-bromophenyl)carbamate
CID 158972622
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate (CID 140873567) is tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(/C=N/N)cc1.
What is the InChIKey of tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate?
The InChIKey is NBNZSRMOBMHZGU-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-10-6-4-9(5-7-10)8-14-13/h4-8H,13H2,1-3H3,(H,15,16)/b14-8+.
What are the key properties of tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate?
tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate has a molecular weight of 235.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(E)-hydrazinylidenemethyl]phenyl]carbamate is sourced from PubChem (CID 140873567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).