methyl N-butylidenecarbamate

C6H11NO2 — CID 57181474

IUPACmethyl N-butylidenecarbamate
SMILESCCCC=NC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-5-7-6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyBRWZEAPMZHQLLO-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.62
Rot. Bonds2

About methyl N-butylidenecarbamate

methyl N-butylidenecarbamate (PubChem CID 57181474) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl N-butylidenecarbamate.

Molecular Properties

Compound Namemethyl N-butylidenecarbamate
PubChem CID57181474
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl N-butylidenecarbamate
SMILESCCCC=NC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-5-7-6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyBRWZEAPMZHQLLO-UHFFFAOYSA-N
XLogP1.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.62
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
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
Methyl 3-ethyliminopropanoate
CID 7054794
methyl (NE)-N-ethylidenecarbamate
CID 22084553
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
butyl N-ethylidenecarbamate
CID 56621636
methyl N-pentylidenecarbamate
CID 56623768
methyl N-ethylidenecarbamate
CID 56631148
methyl N-propylidenecarbamate
CID 57032739
methyl (NZ)-N-ethylidenecarbamate
CID 59960677

Frequently Asked Questions

What is the IUPAC name of methyl N-butylidenecarbamate?
The IUPAC name of methyl N-butylidenecarbamate (CID 57181474) is methyl N-butylidenecarbamate.
What is the SMILES notation for methyl N-butylidenecarbamate?
The canonical SMILES for methyl N-butylidenecarbamate is CCCC=NC(=O)OC.
What is the InChIKey of methyl N-butylidenecarbamate?
The InChIKey is BRWZEAPMZHQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5-7-6(8)9-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl N-butylidenecarbamate?
methyl N-butylidenecarbamate has a molecular weight of 129.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-butylidenecarbamate is sourced from PubChem (CID 57181474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).