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

C15H17NO3 — CID 123681801

IUPACN-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCOCC(COC)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO3/c1-18-7-10(8-19-2)16-15(17)12-4-3-11-13-5-9(13)6-14(11)12/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)
InChIKeyZPYNSRDQHZWUES-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.13
Rot. Bonds6

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

N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123681801) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123681801
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCOCC(COC)NC(=O)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H17NO3/c1-18-7-10(8-19-2)16-15(17)12-4-3-11-13-5-9(13)6-14(11)12/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)
InChIKeyZPYNSRDQHZWUES-UHFFFAOYSA-N
XLogP1.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123681801) is N-(1,3-dimethoxypropan-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-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is COCC(COC)NC(=O)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is ZPYNSRDQHZWUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-7-10(8-19-2)16-15(17)12-4-3-11-13-5-9(13)6-14(11)12/h3-6,10,13H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxypropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123681801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).