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

C7H11NO2 — CID 80733113

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
SMILESO=CNC1CC2CCC1O2
InChIInChI=1S/C7H11NO2/c9-4-8-6-3-5-1-2-7(6)10-5/h4-7H,1-3H2,(H,8,9)
InChIKeyJKXXWERKAKAMKX-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds2

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

N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide (PubChem CID 80733113) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
PubChem CID80733113
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide
SMILESO=CNC1CC2CCC1O2
InChIInChI=1S/C7H11NO2/c9-4-8-6-3-5-1-2-7(6)10-5/h4-7H,1-3H2,(H,8,9)
InChIKeyJKXXWERKAKAMKX-UHFFFAOYSA-N
XLogP0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
N-(7-oxabicyclo[2.2.1]heptan-2-yl)sulfamoyl chloride
CID 114958401
(E)-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 80716686
N-(methylsulfamoyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 127002266
N-(7-oxabicyclo[2.2.1]heptan-2-yl)propane-2-sulfonamide
CID 80601899
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 80720117
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
2-hydroxy-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanoic acid
CID 104644781
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide (CID 80733113) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide is O=CNC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
The InChIKey is JKXXWERKAKAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-4-8-6-3-5-1-2-7(6)10-5/h4-7H,1-3H2,(H,8,9).
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide has a molecular weight of 141.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)formamide is sourced from PubChem (CID 80733113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).