N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C13H9F3N2O — CID 141405536

IUPACN-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)12(3-4-12)18-11(19)7-2-1-6-8(7)5-9-10(6)17-9/h1-2,5,17H,3-4H2,(H,18,19)
InChIKeyUJNARNHGAUEERC-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.92
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405536) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405536
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)12(3-4-12)18-11(19)7-2-1-6-8(7)5-9-10(6)17-9/h1-2,5,17H,3-4H2,(H,18,19)
InChIKeyUJNARNHGAUEERC-UHFFFAOYSA-N
XLogP2.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405536) is N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1ccc2c3[nH]c-3cc1-2.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is UJNARNHGAUEERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)12(3-4-12)18-11(19)7-2-1-6-8(7)5-9-10(6)17-9/h1-2,5,17H,3-4H2,(H,18,19).
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).