N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide

C10H17NO — CID 13082870

IUPACN-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide
SMILESCC12CCC(NC=O)(CC1)CC2
InChIInChI=1S/C10H17NO/c1-9-2-5-10(6-3-9,7-4-9)11-8-12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyVNRUATDULRVRQD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.85
Rot. Bonds2

About N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide

N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide (PubChem CID 13082870) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide.

Molecular Properties

Compound NameN-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide
PubChem CID13082870
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide
SMILESCC12CCC(NC=O)(CC1)CC2
InChIInChI=1S/C10H17NO/c1-9-2-5-10(6-3-9,7-4-9)11-8-12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyVNRUATDULRVRQD-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.85
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-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide?
The IUPAC name of N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide (CID 13082870) is N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide.
What is the SMILES notation for N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide?
The canonical SMILES for N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide is CC12CCC(NC=O)(CC1)CC2.
What is the InChIKey of N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide?
The InChIKey is VNRUATDULRVRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-2-5-10(6-3-9,7-4-9)11-8-12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide?
N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide has a molecular weight of 167.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-bicyclo[2.2.2]octanyl)formamide is sourced from PubChem (CID 13082870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).