N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide

C15H25NO — CID 67393095

IUPACN-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)CNC(=O)C1=CCC2(CCCCC2)C1
InChIInChI=1S/C15H25NO/c1-12(2)11-16-14(17)13-6-9-15(10-13)7-4-3-5-8-15/h6,12H,3-5,7-11H2,1-2H3,(H,16,17)
InChIKeyMBTHFZFAGYRQME-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.43
Rot. Bonds3

About N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide

N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 67393095) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide
PubChem CID67393095
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide
SMILESCC(C)CNC(=O)C1=CCC2(CCCCC2)C1
InChIInChI=1S/C15H25NO/c1-12(2)11-16-14(17)13-6-9-15(10-13)7-4-3-5-8-15/h6,12H,3-5,7-11H2,1-2H3,(H,16,17)
InChIKeyMBTHFZFAGYRQME-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide (CID 67393095) is N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide is CC(C)CNC(=O)C1=CCC2(CCCCC2)C1.
What is the InChIKey of N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is MBTHFZFAGYRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)11-16-14(17)13-6-9-15(10-13)7-4-3-5-8-15/h6,12H,3-5,7-11H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide?
N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)spiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 67393095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).