N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H15NO — CID 141293152

IUPACN-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO/c1-14(2,3)15-13(16)10-5-4-9-11-6-8(11)7-12(9)10/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyJITREOHYRNKNCY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.41
Rot. Bonds1

About N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293152) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293152
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO/c1-14(2,3)15-13(16)10-5-4-9-11-6-8(11)7-12(9)10/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyJITREOHYRNKNCY-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293152) is N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(C)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is JITREOHYRNKNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(2,3)15-13(16)10-5-4-9-11-6-8(11)7-12(9)10/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyltricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).