methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate

C13H17NO2 — CID 74010338

IUPACmethyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
SMILESCOC(=O)N=C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H17NO2/c1-13(2,3)11(14-12(15)16-4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyUSEBJOQLOYBBPZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.29
Rot. Bonds1

About methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate

methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate (PubChem CID 74010338) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate.

Molecular Properties

Compound Namemethyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
PubChem CID74010338
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
SMILESCOC(=O)N=C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C13H17NO2/c1-13(2,3)11(14-12(15)16-4)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyUSEBJOQLOYBBPZ-UHFFFAOYSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate?
The IUPAC name of methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate (CID 74010338) is methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate.
What is the SMILES notation for methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate?
The canonical SMILES for methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate is COC(=O)N=C(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate?
The InChIKey is USEBJOQLOYBBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)11(14-12(15)16-4)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate?
methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate has a molecular weight of 219.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate is sourced from PubChem (CID 74010338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).