[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate

C5H8N2O2 — CID 163951089

IUPAC[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate
SMILESC=NC(=O)O[C@H](C)N=C
InChIInChI=1S/C5H8N2O2/c1-4(6-2)9-5(8)7-3/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyRZJMBHPAZFOMHY-SCSAIBSYSA-N
MW128.13 g/mol
LogP0.87
Rot. Bonds2

About [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate

[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate (PubChem CID 163951089) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate.

Molecular Properties

Compound Name[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate
PubChem CID163951089
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate
SMILESC=NC(=O)O[C@H](C)N=C
InChIInChI=1S/C5H8N2O2/c1-4(6-2)9-5(8)7-3/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyRZJMBHPAZFOMHY-SCSAIBSYSA-N
XLogP0.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyoxal, bis(ethoxycarbonylamido-
CID 9576729
Carbamic acid, methylene-, ethyl ester
CID 12224396
Ethyl (ethoxycarbonyl)methanimidate
CID 53836390
Aethyliden-Urethan
CID 56617959
ethyl (1Z)-N-ethoxycarbonylmethanimidate
CID 134893228
1-Isocyanato-1-(1-isocyanatoethoxy)ethane
CID 21967053
ethyl N-(cyanomethylidene)carbamate
CID 141068867
methyl N-ethoxycarbonylmethanimidate
CID 163786531
[(1R)-1-(methylideneamino)ethyl] carbamate
CID 163861509
ethyl N-(2-methoxyethylidene)carbamate
CID 173081894
ethyl N-(2-ethoxycarbonyliminoethylidene)carbamate
CID 118887
Ethyl N-(ethoxycarbonyl)formimidate
CID 11084016

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate?
The IUPAC name of [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate (CID 163951089) is [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate.
What is the SMILES notation for [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate?
The canonical SMILES for [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate is C=NC(=O)O[C@H](C)N=C.
What is the InChIKey of [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate?
The InChIKey is RZJMBHPAZFOMHY-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-4(6-2)9-5(8)7-3/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate?
[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate has a molecular weight of 128.13 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate is sourced from PubChem (CID 163951089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).