methyl N-(1-aminopropylidene)carbamate

C5H10N2O2 — CID 54240762

IUPACmethyl N-(1-aminopropylidene)carbamate
SMILESCCC(N)=NC(=O)OC
InChIInChI=1S/C5H10N2O2/c1-3-4(6)7-5(8)9-2/h3H2,1-2H3,(H2,6,7,8)
InChIKeyQPVFXODOPVIZMM-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.52
Rot. Bonds1

About methyl N-(1-aminopropylidene)carbamate

methyl N-(1-aminopropylidene)carbamate (PubChem CID 54240762) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is methyl N-(1-aminopropylidene)carbamate.

Molecular Properties

Compound Namemethyl N-(1-aminopropylidene)carbamate
PubChem CID54240762
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Namemethyl N-(1-aminopropylidene)carbamate
SMILESCCC(N)=NC(=O)OC
InChIInChI=1S/C5H10N2O2/c1-3-4(6)7-5(8)9-2/h3H2,1-2H3,(H2,6,7,8)
InChIKeyQPVFXODOPVIZMM-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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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-aminopropylidene)carbamate?
The IUPAC name of methyl N-(1-aminopropylidene)carbamate (CID 54240762) is methyl N-(1-aminopropylidene)carbamate.
What is the SMILES notation for methyl N-(1-aminopropylidene)carbamate?
The canonical SMILES for methyl N-(1-aminopropylidene)carbamate is CCC(N)=NC(=O)OC.
What is the InChIKey of methyl N-(1-aminopropylidene)carbamate?
The InChIKey is QPVFXODOPVIZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3-4(6)7-5(8)9-2/h3H2,1-2H3,(H2,6,7,8).
What are the key properties of methyl N-(1-aminopropylidene)carbamate?
methyl N-(1-aminopropylidene)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 methyl N-(1-aminopropylidene)carbamate is sourced from PubChem (CID 54240762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).