N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide

C15H25NO — CID 11031848

IUPACN-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide
SMILESC=C(C1=CCC(C(C)(C)C)CC1)N(C)C(C)=O
InChIInChI=1S/C15H25NO/c1-11(16(6)12(2)17)13-7-9-14(10-8-13)15(3,4)5/h7,14H,1,8-10H2,2-6H3
InChIKeyXRLMDPCVTLJZPZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds2

About N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide

N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide (PubChem CID 11031848) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide
PubChem CID11031848
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide
SMILESC=C(C1=CCC(C(C)(C)C)CC1)N(C)C(C)=O
InChIInChI=1S/C15H25NO/c1-11(16(6)12(2)17)13-7-9-14(10-8-13)15(3,4)5/h7,14H,1,8-10H2,2-6H3
InChIKeyXRLMDPCVTLJZPZ-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide?
The IUPAC name of N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide (CID 11031848) is N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide?
The canonical SMILES for N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide is C=C(C1=CCC(C(C)(C)C)CC1)N(C)C(C)=O.
What is the InChIKey of N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide?
The InChIKey is XRLMDPCVTLJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(16(6)12(2)17)13-7-9-14(10-8-13)15(3,4)5/h7,14H,1,8-10H2,2-6H3.
What are the key properties of N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide?
N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide has a molecular weight of 235.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide is sourced from PubChem (CID 11031848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).