methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium

C12H15N2O2+ — CID 135026210

IUPACmethylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
SMILESC#[N+]c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9(10)13-4/h4-8H,1-3H3/p+1
InChIKeyDLLPUUFMXFIEBC-UHFFFAOYSA-O
MW219.26 g/mol
LogP3.63
Rot. Bonds1

About methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium

methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium (PubChem CID 135026210) has the molecular formula C12H15N2O2+ and a molecular weight of 219.26 g/mol. Its IUPAC name is methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium.

Molecular Properties

Compound Namemethylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
PubChem CID135026210
Molecular FormulaC12H15N2O2+
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Namemethylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
SMILESC#[N+]c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9(10)13-4/h4-8H,1-3H3/p+1
InChIKeyDLLPUUFMXFIEBC-UHFFFAOYSA-O
XLogP3.63
TPSA42.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[2-[bromo(hydroxy)methyl]phenyl]carbamate
CID 172603488
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
2-ethyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
CID 143731245
tert-butyl N-[2-[2-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propan-2-yl]phenyl]carbamate
CID 134225119

Frequently Asked Questions

What is the IUPAC name of methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
The IUPAC name of methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium (CID 135026210) is methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium.
What is the SMILES notation for methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
The canonical SMILES for methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium is C#[N+]c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
The InChIKey is DLLPUUFMXFIEBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-8-6-5-7-9(10)13-4/h4-8H,1-3H3/p+1.
What are the key properties of methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium?
methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium has a molecular weight of 219.26 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium is sourced from PubChem (CID 135026210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).