N-(1-methoxyethyl)-N-methylformamide

C5H11NO2 — CID 19592457

IUPACN-(1-methoxyethyl)-N-methylformamide
SMILESCOC(C)N(C)C=O
InChIInChI=1S/C5H11NO2/c1-5(8-3)6(2)4-7/h4-5H,1-3H3
InChIKeyNKAULRJJHXVQEE-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.07
Rot. Bonds3

About N-(1-methoxyethyl)-N-methylformamide

N-(1-methoxyethyl)-N-methylformamide (PubChem CID 19592457) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(1-methoxyethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-methoxyethyl)-N-methylformamide
PubChem CID19592457
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(1-methoxyethyl)-N-methylformamide
SMILESCOC(C)N(C)C=O
InChIInChI=1S/C5H11NO2/c1-5(8-3)6(2)4-7/h4-5H,1-3H3
InChIKeyNKAULRJJHXVQEE-UHFFFAOYSA-N
XLogP0.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)-N-methylformamide?
The IUPAC name of N-(1-methoxyethyl)-N-methylformamide (CID 19592457) is N-(1-methoxyethyl)-N-methylformamide.
What is the SMILES notation for N-(1-methoxyethyl)-N-methylformamide?
The canonical SMILES for N-(1-methoxyethyl)-N-methylformamide is COC(C)N(C)C=O.
What is the InChIKey of N-(1-methoxyethyl)-N-methylformamide?
The InChIKey is NKAULRJJHXVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(8-3)6(2)4-7/h4-5H,1-3H3.
What are the key properties of N-(1-methoxyethyl)-N-methylformamide?
N-(1-methoxyethyl)-N-methylformamide has a molecular weight of 117.15 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-N-methylformamide is sourced from PubChem (CID 19592457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).