[(1R)-1-(methylideneamino)ethyl] carbamate

C4H8N2O2 — CID 163861509

IUPAC[(1R)-1-(methylideneamino)ethyl] carbamate
SMILESC=N[C@@H](C)OC(N)=O
InChIInChI=1S/C4H8N2O2/c1-3(6-2)8-4(5)7/h3H,2H2,1H3,(H2,5,7)/t3-/m1/s1
InChIKeyPCXXNFDGPJZDKM-GSVOUGTGSA-N
MW116.12 g/mol
LogP0.13
Rot. Bonds2

About [(1R)-1-(methylideneamino)ethyl] carbamate

[(1R)-1-(methylideneamino)ethyl] carbamate (PubChem CID 163861509) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is [(1R)-1-(methylideneamino)ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(methylideneamino)ethyl] carbamate
PubChem CID163861509
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name[(1R)-1-(methylideneamino)ethyl] carbamate
SMILESC=N[C@@H](C)OC(N)=O
InChIInChI=1S/C4H8N2O2/c1-3(6-2)8-4(5)7/h3H,2H2,1H3,(H2,5,7)/t3-/m1/s1
InChIKeyPCXXNFDGPJZDKM-GSVOUGTGSA-N
XLogP0.13
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Carbamoyloxyethyl(trimethyl)azanium
CID 20472569
1-(Dimethylamino)ethyl carbamate
CID 25079362
4,5-Dihydro-1,3-oxazole;ethyl carbamate
CID 70205962
1-Isocyanatoethyl carbamate
CID 87157477
1-Isocyanoethyl carbamate
CID 87833960
1-(Dimethylamino)ethyl carbamate;isocyanic acid
CID 88526700
Diisocyanatomethane;ethyl carbamate
CID 88595874
2-Isocyanatoethyl carbamate
CID 117773793
3-Methyliminopropyl carbamate
CID 142872517
3-Isocyanatopropyl carbamate
CID 154491436
Ethyl carbamate;2-isocyanatopropane
CID 157654422
[(1R)-1-(methylideneamino)ethyl] N-methylidenecarbamate
CID 163951089

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(methylideneamino)ethyl] carbamate?
The IUPAC name of [(1R)-1-(methylideneamino)ethyl] carbamate (CID 163861509) is [(1R)-1-(methylideneamino)ethyl] carbamate.
What is the SMILES notation for [(1R)-1-(methylideneamino)ethyl] carbamate?
The canonical SMILES for [(1R)-1-(methylideneamino)ethyl] carbamate is C=N[C@@H](C)OC(N)=O.
What is the InChIKey of [(1R)-1-(methylideneamino)ethyl] carbamate?
The InChIKey is PCXXNFDGPJZDKM-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(6-2)8-4(5)7/h3H,2H2,1H3,(H2,5,7)/t3-/m1/s1.
What are the key properties of [(1R)-1-(methylideneamino)ethyl] carbamate?
[(1R)-1-(methylideneamino)ethyl] carbamate has a molecular weight of 116.12 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(methylideneamino)ethyl] carbamate is sourced from PubChem (CID 163861509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).