ethyl N-(2-methylbutylidene)carbamate

C8H15NO2 — CID 56637023

IUPACethyl N-(2-methylbutylidene)carbamate
SMILESCCOC(=O)N=CC(C)CC
InChIInChI=1S/C8H15NO2/c1-4-7(3)6-9-8(10)11-5-2/h6-7H,4-5H2,1-3H3
InChIKeyHOPMFZWDVGNLBZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.26
Rot. Bonds3

About ethyl N-(2-methylbutylidene)carbamate

ethyl N-(2-methylbutylidene)carbamate (PubChem CID 56637023) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl N-(2-methylbutylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methylbutylidene)carbamate
PubChem CID56637023
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl N-(2-methylbutylidene)carbamate
SMILESCCOC(=O)N=CC(C)CC
InChIInChI=1S/C8H15NO2/c1-4-7(3)6-9-8(10)11-5-2/h6-7H,4-5H2,1-3H3
InChIKeyHOPMFZWDVGNLBZ-UHFFFAOYSA-N
XLogP2.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-methylpropylidene)carbamate
CID 89527756
tert-butyl (NZ)-N-(3-methylbutylidene)carbamate
CID 164674884
tert-butyl (NE)-N-(3-methylbutylidene)carbamate
CID 24827694
methyl N-(ethoxycarbonyl)isobutyrimidate
CID 85528460
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
tert-butyl (NE)-N-propylidenecarbamate
CID 133677059
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
ethyl N-(2-methylpentylidene)carbamate
CID 56623678

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylbutylidene)carbamate?
The IUPAC name of ethyl N-(2-methylbutylidene)carbamate (CID 56637023) is ethyl N-(2-methylbutylidene)carbamate.
What is the SMILES notation for ethyl N-(2-methylbutylidene)carbamate?
The canonical SMILES for ethyl N-(2-methylbutylidene)carbamate is CCOC(=O)N=CC(C)CC.
What is the InChIKey of ethyl N-(2-methylbutylidene)carbamate?
The InChIKey is HOPMFZWDVGNLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(3)6-9-8(10)11-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl N-(2-methylbutylidene)carbamate?
ethyl N-(2-methylbutylidene)carbamate has a molecular weight of 157.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylbutylidene)carbamate is sourced from PubChem (CID 56637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).