N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C13H13NO2 — CID 141292898

IUPACN-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESC[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C13H13NO2/c1-7(6-15)14-13(16)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,7,15H,4,6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyGOOSUFKABGAVLF-ZETCQYMHSA-N
MW215.25 g/mol
LogP0.99
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292898) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292898
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESC[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C13H13NO2/c1-7(6-15)14-13(16)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,7,15H,4,6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyGOOSUFKABGAVLF-ZETCQYMHSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292898) is N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is C[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is GOOSUFKABGAVLF-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H13NO2/c1-7(6-15)14-13(16)10-3-2-9-11-4-8(11)5-12(9)10/h2-3,5,7,15H,4,6H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).