N-[2-(2-methylprop-2-enoxy)ethyl]formamide

C7H13NO2 — CID 18401322

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]formamide
SMILESC=C(C)COCCNC=O
InChIInChI=1S/C7H13NO2/c1-7(2)5-10-4-3-8-6-9/h6H,1,3-5H2,2H3,(H,8,9)
InChIKeyHUSNUOPEFBVWRD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]formamide

N-[2-(2-methylprop-2-enoxy)ethyl]formamide (PubChem CID 18401322) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]formamide
PubChem CID18401322
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]formamide
SMILESC=C(C)COCCNC=O
InChIInChI=1S/C7H13NO2/c1-7(2)5-10-4-3-8-6-9/h6H,1,3-5H2,2H3,(H,8,9)
InChIKeyHUSNUOPEFBVWRD-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]formamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]formamide (CID 18401322) is N-[2-(2-methylprop-2-enoxy)ethyl]formamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]formamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]formamide is C=C(C)COCCNC=O.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]formamide?
The InChIKey is HUSNUOPEFBVWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5-10-4-3-8-6-9/h6H,1,3-5H2,2H3,(H,8,9).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]formamide?
N-[2-(2-methylprop-2-enoxy)ethyl]formamide has a molecular weight of 143.19 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]formamide is sourced from PubChem (CID 18401322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).