N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide

C9H13NO2 — CID 548995

IUPACN-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide
SMILESO=CNC1CCC2C=CCC1O2
InChIInChI=1S/C9H13NO2/c11-6-10-8-5-4-7-2-1-3-9(8)12-7/h1-2,6-9H,3-5H2,(H,10,11)
InChIKeyAECXXUAIENWPMC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

About N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide

N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide (PubChem CID 548995) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide.

Molecular Properties

Compound NameN-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide
PubChem CID548995
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide
SMILESO=CNC1CCC2C=CCC1O2
InChIInChI=1S/C9H13NO2/c11-6-10-8-5-4-7-2-1-3-9(8)12-7/h1-2,6-9H,3-5H2,(H,10,11)
InChIKeyAECXXUAIENWPMC-UHFFFAOYSA-N
XLogP0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl-(9-oxa-bicyclo[3.3.1]non-6-en-2-yl)-amine
CID 545919
N-(2-ethoxycyclooct-3-en-1-yl)acetamide
CID 123693476
(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-amine
CID 55289448
N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide
CID 130925933

Frequently Asked Questions

What is the IUPAC name of N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide?
The IUPAC name of N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide (CID 548995) is N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide.
What is the SMILES notation for N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide?
The canonical SMILES for N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide is O=CNC1CCC2C=CCC1O2.
What is the InChIKey of N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide?
The InChIKey is AECXXUAIENWPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-6-10-8-5-4-7-2-1-3-9(8)12-7/h1-2,6-9H,3-5H2,(H,10,11).
What are the key properties of N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide?
N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide has a molecular weight of 167.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxabicyclo[3.3.1]non-6-en-2-yl)formamide is sourced from PubChem (CID 548995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).