N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide

C9H13NO2 — CID 130925933

IUPACN-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide
SMILESO=CN[C@@H]1CC[C@@H]2C=CC[C@H]1O2
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)/t7-,8+,9+/m0/s1
InChIKeyAECXXUAIENWPMC-DJLDLDEBSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

About N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide

N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide (PubChem CID 130925933) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide
PubChem CID130925933
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide
SMILESO=CN[C@@H]1CC[C@@H]2C=CC[C@H]1O2
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)/t7-,8+,9+/m0/s1
InChIKeyAECXXUAIENWPMC-DJLDLDEBSA-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
Formamide, N-9-oxabicyclo[3.3.1]non-6-en-2-yl-, endo-
CID 548995
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide?
The IUPAC name of N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide (CID 130925933) is N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide.
What is the SMILES notation for N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide?
The canonical SMILES for N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide is O=CN[C@@H]1CC[C@@H]2C=CC[C@H]1O2.
What is the InChIKey of N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide?
The InChIKey is AECXXUAIENWPMC-DJLDLDEBSA-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)/t7-,8+,9+/m0/s1.
What are the key properties of N-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide?
N-[(1R,2R,5R)-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-[(1R,2R,5R)-9-oxabicyclo[3.3.1]non-6-en-2-yl]formamide is sourced from PubChem (CID 130925933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).