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

C13H13NO3 — CID 123466724

IUPACN-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC(CO)CO)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C13H13NO3/c15-5-8(6-16)14-13(17)10-2-1-9-11-3-7(11)4-12(9)10/h1-4,8,11,15-16H,5-6H2,(H,14,17)
InChIKeyGDGLKUWWNKAJOK-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.18
Rot. Bonds4

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

N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123466724) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123466724
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC(CO)CO)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C13H13NO3/c15-5-8(6-16)14-13(17)10-2-1-9-11-3-7(11)4-12(9)10/h1-4,8,11,15-16H,5-6H2,(H,14,17)
InChIKeyGDGLKUWWNKAJOK-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123466724) is N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is O=C(NC(CO)CO)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is GDGLKUWWNKAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-5-8(6-16)14-13(17)10-2-1-9-11-3-7(11)4-12(9)10/h1-4,8,11,15-16H,5-6H2,(H,14,17).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 231.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123466724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).