ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate

C8H15NO2 — CID 134972749

IUPACethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
SMILESCCOC(=O)/N=C/C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-11-7(10)9-6-8(2,3)4/h6H,5H2,1-4H3/b9-6+
InChIKeyXLLRNSMTKGPZRH-RMKNXTFCSA-N
MW157.21 g/mol
LogP2.26
Rot. Bonds1

About ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate

ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate (PubChem CID 134972749) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
PubChem CID134972749
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
SMILESCCOC(=O)/N=C/C(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-11-7(10)9-6-8(2,3)4/h6H,5H2,1-4H3/b9-6+
InChIKeyXLLRNSMTKGPZRH-RMKNXTFCSA-N
XLogP2.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (NE)-N-(2,2-dimethylpropylidene)carbamate
CID 46914293
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
ethyl N-(2-methylbutylidene)carbamate
CID 56637023
ethyl N-(4-ethoxycarbonyliminobutylidene)carbamate
CID 57086784
tert-butyl N-(2,2-dimethylpropylidene)carbamate
CID 75252437
ethyl N-(4-ethoxybutylidene)carbamate
CID 76540859
2-methylpropyl N-ethylidenecarbamate
CID 123386194
5,5-dimethyl-6H-1,3-oxazin-2-one
CID 152289040
2-methylpropyl N-(2-methylpropylidene)carbamate
CID 175288576

Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
The IUPAC name of ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate (CID 134972749) is ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate.
What is the SMILES notation for ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
The canonical SMILES for ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate is CCOC(=O)/N=C/C(C)(C)C.
What is the InChIKey of ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
The InChIKey is XLLRNSMTKGPZRH-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-11-7(10)9-6-8(2,3)4/h6H,5H2,1-4H3/b9-6+.
What are the key properties of ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate?
ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate has a molecular weight of 157.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate is sourced from PubChem (CID 134972749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).