(2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide

C10H11F2N3O — CID 118971782

IUPAC(2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide
SMILESCNC(=O)c1nn(C)c2c1[C@H]1C[C@H]1C2(F)F
InChIInChI=1S/C10H11F2N3O/c1-13-9(16)7-6-4-3-5(4)10(11,12)8(6)15(2)14-7/h4-5H,3H2,1-2H3,(H,13,16)/t4-,5+/m0/s1
InChIKeyONGIAQFHJMGKST-CRCLSJGQSA-N
MW227.21 g/mol
LogP0.99
Rot. Bonds1

About (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide

(2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide (PubChem CID 118971782) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide.

Molecular Properties

Compound Name(2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide
PubChem CID118971782
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name(2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide
SMILESCNC(=O)c1nn(C)c2c1[C@H]1C[C@H]1C2(F)F
InChIInChI=1S/C10H11F2N3O/c1-13-9(16)7-6-4-3-5(4)10(11,12)8(6)15(2)14-7/h4-5H,3H2,1-2H3,(H,13,16)/t4-,5+/m0/s1
InChIKeyONGIAQFHJMGKST-CRCLSJGQSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide?
The IUPAC name of (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide (CID 118971782) is (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide.
What is the SMILES notation for (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide?
The canonical SMILES for (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide is CNC(=O)c1nn(C)c2c1[C@H]1C[C@H]1C2(F)F.
What is the InChIKey of (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide?
The InChIKey is ONGIAQFHJMGKST-CRCLSJGQSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-13-9(16)7-6-4-3-5(4)10(11,12)8(6)15(2)14-7/h4-5H,3H2,1-2H3,(H,13,16)/t4-,5+/m0/s1.
What are the key properties of (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide?
(2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide has a molecular weight of 227.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5,5-difluoro-N,7-dimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide is sourced from PubChem (CID 118971782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).