propyl N-formyl-N-methylcarbamate

C6H11NO3 — CID 54370702

IUPACpropyl N-formyl-N-methylcarbamate
SMILESCCCOC(=O)N(C)C=O
InChIInChI=1S/C6H11NO3/c1-3-4-10-6(9)7(2)5-8/h5H,3-4H2,1-2H3
InChIKeyFXHXXABEGGXTMN-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.62
Rot. Bonds3

About propyl N-formyl-N-methylcarbamate

propyl N-formyl-N-methylcarbamate (PubChem CID 54370702) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is propyl N-formyl-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-formyl-N-methylcarbamate
PubChem CID54370702
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namepropyl N-formyl-N-methylcarbamate
SMILESCCCOC(=O)N(C)C=O
InChIInChI=1S/C6H11NO3/c1-3-4-10-6(9)7(2)5-8/h5H,3-4H2,1-2H3
InChIKeyFXHXXABEGGXTMN-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl N-formyl-N-methylcarbamate?
The IUPAC name of propyl N-formyl-N-methylcarbamate (CID 54370702) is propyl N-formyl-N-methylcarbamate.
What is the SMILES notation for propyl N-formyl-N-methylcarbamate?
The canonical SMILES for propyl N-formyl-N-methylcarbamate is CCCOC(=O)N(C)C=O.
What is the InChIKey of propyl N-formyl-N-methylcarbamate?
The InChIKey is FXHXXABEGGXTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-4-10-6(9)7(2)5-8/h5H,3-4H2,1-2H3.
What are the key properties of propyl N-formyl-N-methylcarbamate?
propyl N-formyl-N-methylcarbamate has a molecular weight of 145.16 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-formyl-N-methylcarbamate is sourced from PubChem (CID 54370702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).