ethyl (NE)-N-(2-methylpropylidene)carbamate

C7H13NO2 — CID 87149029

IUPACethyl (NE)-N-(2-methylpropylidene)carbamate
SMILESCCOC(=O)/N=C/C(C)C
InChIInChI=1S/C7H13NO2/c1-4-10-7(9)8-5-6(2)3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyMCUMAIRCBYCSAS-VMPITWQZSA-N
MW143.19 g/mol
LogP1.87
Rot. Bonds2

About ethyl (NE)-N-(2-methylpropylidene)carbamate

ethyl (NE)-N-(2-methylpropylidene)carbamate (PubChem CID 87149029) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl (NE)-N-(2-methylpropylidene)carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-(2-methylpropylidene)carbamate
PubChem CID87149029
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl (NE)-N-(2-methylpropylidene)carbamate
SMILESCCOC(=O)/N=C/C(C)C
InChIInChI=1S/C7H13NO2/c1-4-10-7(9)8-5-6(2)3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyMCUMAIRCBYCSAS-VMPITWQZSA-N
XLogP1.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.87
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

Aethyliden-Urethan
CID 56617959
tert-butyl (NE)-N-(2-methylpropylidene)carbamate
CID 89527756
methyl N-(ethoxycarbonyl)isobutyrimidate
CID 85528460
ethyl N-(2-cyanoethylidene)carbamate
CID 90733859
ethyl N-(2,2-dicyanoethylidene)carbamate
CID 91328166
ethyl (NE)-N-(2,2-dimethylpropylidene)carbamate
CID 134972749
tert-butyl (NZ)-N-(2-methylpropylidene)carbamate
CID 45092375
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
butyl N-ethylidenecarbamate
CID 56621636
ethyl N-(2-methylpentylidene)carbamate
CID 56623678

Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-(2-methylpropylidene)carbamate?
The IUPAC name of ethyl (NE)-N-(2-methylpropylidene)carbamate (CID 87149029) is ethyl (NE)-N-(2-methylpropylidene)carbamate.
What is the SMILES notation for ethyl (NE)-N-(2-methylpropylidene)carbamate?
The canonical SMILES for ethyl (NE)-N-(2-methylpropylidene)carbamate is CCOC(=O)/N=C/C(C)C.
What is the InChIKey of ethyl (NE)-N-(2-methylpropylidene)carbamate?
The InChIKey is MCUMAIRCBYCSAS-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-10-7(9)8-5-6(2)3/h5-6H,4H2,1-3H3/b8-5+.
What are the key properties of ethyl (NE)-N-(2-methylpropylidene)carbamate?
ethyl (NE)-N-(2-methylpropylidene)carbamate has a molecular weight of 143.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-(2-methylpropylidene)carbamate is sourced from PubChem (CID 87149029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).