N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide

C15H25NO — CID 89206513

IUPACN-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C(CCCC)C2C
InChIInChI=1S/C15H25NO/c1-4-6-7-12-10(3)11-8-13(12)14(9-11)16-15(17)5-2/h5,10-14H,2,4,6-9H2,1,3H3,(H,16,17)
InChIKeyFLSCHNGMNVRTGC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.14
Rot. Bonds5

About N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide

N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide (PubChem CID 89206513) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
PubChem CID89206513
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C(CCCC)C2C
InChIInChI=1S/C15H25NO/c1-4-6-7-12-10(3)11-8-13(12)14(9-11)16-15(17)5-2/h5,10-14H,2,4,6-9H2,1,3H3,(H,16,17)
InChIKeyFLSCHNGMNVRTGC-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The IUPAC name of N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide (CID 89206513) is N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide.
What is the SMILES notation for N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The canonical SMILES for N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide is C=CC(=O)NC1CC2CC1C(CCCC)C2C.
What is the InChIKey of N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
The InChIKey is FLSCHNGMNVRTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-7-12-10(3)11-8-13(12)14(9-11)16-15(17)5-2/h5,10-14H,2,4,6-9H2,1,3H3,(H,16,17).
What are the key properties of N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide?
N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide has a molecular weight of 235.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-5-methyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide is sourced from PubChem (CID 89206513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).