N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide

C11H15NO — CID 89379174

IUPACN-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide
SMILESCC1C2C=CC=CC1C2CNC=O
InChIInChI=1S/C11H15NO/c1-8-9-4-2-3-5-10(8)11(9)6-12-7-13/h2-5,7-11H,6H2,1H3,(H,12,13)
InChIKeyDLODJXWDWYIXRC-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.36
Rot. Bonds3

About N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide

N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide (PubChem CID 89379174) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide.

Molecular Properties

Compound NameN-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide
PubChem CID89379174
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide
SMILESCC1C2C=CC=CC1C2CNC=O
InChIInChI=1S/C11H15NO/c1-8-9-4-2-3-5-10(8)11(9)6-12-7-13/h2-5,7-11H,6H2,1H3,(H,12,13)
InChIKeyDLODJXWDWYIXRC-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide?
The IUPAC name of N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide (CID 89379174) is N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide.
What is the SMILES notation for N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide?
The canonical SMILES for N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide is CC1C2C=CC=CC1C2CNC=O.
What is the InChIKey of N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide?
The InChIKey is DLODJXWDWYIXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-9-4-2-3-5-10(8)11(9)6-12-7-13/h2-5,7-11H,6H2,1H3,(H,12,13).
What are the key properties of N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide?
N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide has a molecular weight of 177.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide is sourced from PubChem (CID 89379174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).