N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide

C8H13NO2 — CID 130257313

IUPACN-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
SMILESCN(C=O)C1CC2CCC1O2
InChIInChI=1S/C8H13NO2/c1-9(5-10)7-4-6-2-3-8(7)11-6/h5-8H,2-4H2,1H3
InChIKeyWVAFYOBDWPZLSF-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.39
Rot. Bonds2

About N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide

N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide (PubChem CID 130257313) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
PubChem CID130257313
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
SMILESCN(C=O)C1CC2CCC1O2
InChIInChI=1S/C8H13NO2/c1-9(5-10)7-4-6-2-3-8(7)11-6/h5-8H,2-4H2,1H3
InChIKeyWVAFYOBDWPZLSF-UHFFFAOYSA-N
XLogP0.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
The IUPAC name of N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide (CID 130257313) is N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide.
What is the SMILES notation for N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
The canonical SMILES for N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide is CN(C=O)C1CC2CCC1O2.
What is the InChIKey of N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
The InChIKey is WVAFYOBDWPZLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9(5-10)7-4-6-2-3-8(7)11-6/h5-8H,2-4H2,1H3.
What are the key properties of N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide has a molecular weight of 155.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide is sourced from PubChem (CID 130257313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).