ethyl (NE)-N-(1-aminoethylidene)carbamate

C5H10N2O2 — CID 13135123

IUPACethyl (NE)-N-(1-aminoethylidene)carbamate
SMILESCCOC(=O)/N=C(\C)N
InChIInChI=1S/C5H10N2O2/c1-3-9-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8)
InChIKeyMHEUCALNWYDCTR-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.52
Rot. Bonds1

About ethyl (NE)-N-(1-aminoethylidene)carbamate

ethyl (NE)-N-(1-aminoethylidene)carbamate (PubChem CID 13135123) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is ethyl (NE)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-(1-aminoethylidene)carbamate
PubChem CID13135123
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Nameethyl (NE)-N-(1-aminoethylidene)carbamate
SMILESCCOC(=O)/N=C(\C)N
InChIInChI=1S/C5H10N2O2/c1-3-9-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8)
InChIKeyMHEUCALNWYDCTR-UHFFFAOYSA-N
XLogP0.52
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl (NE)-N-(1-aminoethylidene)carbamate
CID 13118354
methyl N-(1-aminoethylidene)carbamate
CID 54362500
methyl (NZ)-N-(1-aminoethylidene)carbamate
CID 55290877
2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate
CID 5355328
methyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13135117
ethyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13420729
Ethoxycarbonylguanidine
CID 13462912
methyl (NE)-N-(1-aminopropylidene)carbamate
CID 13512046
butyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754853
2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754855
propan-2-yl (NE)-N-(1-aminoethylidene)carbamate
CID 20754856
propyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754861

Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-(1-aminoethylidene)carbamate?
The IUPAC name of ethyl (NE)-N-(1-aminoethylidene)carbamate (CID 13135123) is ethyl (NE)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for ethyl (NE)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for ethyl (NE)-N-(1-aminoethylidene)carbamate is CCOC(=O)/N=C(\C)N.
What is the InChIKey of ethyl (NE)-N-(1-aminoethylidene)carbamate?
The InChIKey is MHEUCALNWYDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-9-5(8)7-4(2)6/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of ethyl (NE)-N-(1-aminoethylidene)carbamate?
ethyl (NE)-N-(1-aminoethylidene)carbamate has a molecular weight of 130.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 13135123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).