N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C17H17F3N2O — CID 141292998

IUPACN-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(N[C@@H]1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)4-6-22-5-3-11(9-22)21-16(23)13-2-1-12-14-7-10(14)8-15(12)13/h1-2,8,11H,3-7,9H2,(H,21,23)/t11-/m1/s1
InChIKeyOBJZKCAPAIEQMG-LLVKDONJSA-N
MW322.33 g/mol
LogP2.64
Rot. Bonds4

About N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 141292998) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID141292998
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESO=C(N[C@@H]1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)4-6-22-5-3-11(9-22)21-16(23)13-2-1-12-14-7-10(14)8-15(12)13/h1-2,8,11H,3-7,9H2,(H,21,23)/t11-/m1/s1
InChIKeyOBJZKCAPAIEQMG-LLVKDONJSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123815682
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292838
N-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293020
N-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293246
N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
CID 172833985
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123967319

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 141292998) is N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is O=C(N[C@@H]1CCN(CCC(F)(F)F)C1)C1=CC=C2C1=CC1=C2C1.
What is the InChIKey of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is OBJZKCAPAIEQMG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)4-6-22-5-3-11(9-22)21-16(23)13-2-1-12-14-7-10(14)8-15(12)13/h1-2,8,11H,3-7,9H2,(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]tricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 141292998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).