2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide

C15H23NO — CID 58205323

IUPAC2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCC2C=C(C)CCC2C1
InChIInChI=1S/C15H23NO/c1-10(2)15(17)16-14-7-6-12-8-11(3)4-5-13(12)9-14/h8,12-14H,1,4-7,9H2,2-3H3,(H,16,17)
InChIKeyYNQCYAZBLFBDLJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.20
Rot. Bonds2

About 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide

2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide (PubChem CID 58205323) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide
PubChem CID58205323
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CCC2C=C(C)CCC2C1
InChIInChI=1S/C15H23NO/c1-10(2)15(17)16-14-7-6-12-8-11(3)4-5-13(12)9-14/h8,12-14H,1,4-7,9H2,2-3H3,(H,16,17)
InChIKeyYNQCYAZBLFBDLJ-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide (CID 58205323) is 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide is C=C(C)C(=O)NC1CCC2C=C(C)CCC2C1.
What is the InChIKey of 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide?
The InChIKey is YNQCYAZBLFBDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)15(17)16-14-7-6-12-8-11(3)4-5-13(12)9-14/h8,12-14H,1,4-7,9H2,2-3H3,(H,16,17).
What are the key properties of 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide?
2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide has a molecular weight of 233.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 58205323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).