N-tert-butylcyclohexene-1-carboxamide

C11H19NO — CID 12555791

IUPACN-tert-butylcyclohexene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCCCC1
InChIInChI=1S/C11H19NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyXKBWCOAKJBIAJX-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds1

About N-tert-butylcyclohexene-1-carboxamide

N-tert-butylcyclohexene-1-carboxamide (PubChem CID 12555791) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-tert-butylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butylcyclohexene-1-carboxamide
PubChem CID12555791
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-tert-butylcyclohexene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CCCCC1
InChIInChI=1S/C11H19NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyXKBWCOAKJBIAJX-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexene-1-carboxamide?
The IUPAC name of N-tert-butylcyclohexene-1-carboxamide (CID 12555791) is N-tert-butylcyclohexene-1-carboxamide.
What is the SMILES notation for N-tert-butylcyclohexene-1-carboxamide?
The canonical SMILES for N-tert-butylcyclohexene-1-carboxamide is CC(C)(C)NC(=O)C1=CCCCC1.
What is the InChIKey of N-tert-butylcyclohexene-1-carboxamide?
The InChIKey is XKBWCOAKJBIAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)12-10(13)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butylcyclohexene-1-carboxamide?
N-tert-butylcyclohexene-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexene-1-carboxamide is sourced from PubChem (CID 12555791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).