N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C16H17NO2 — CID 123412954

IUPACN-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NCC1CCOCC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C16H17NO2/c18-16(17-9-10-3-5-19-6-4-10)13-2-1-12-14-7-11(14)8-15(12)13/h1-2,7-8,10,14H,3-6,9H2,(H,17,18)
InChIKeyQEMZKNBSSBYQMX-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.89
Rot. Bonds3

About N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123412954) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123412954
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NCC1CCOCC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C16H17NO2/c18-16(17-9-10-3-5-19-6-4-10)13-2-1-12-14-7-11(14)8-15(12)13/h1-2,7-8,10,14H,3-6,9H2,(H,17,18)
InChIKeyQEMZKNBSSBYQMX-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123412954) is N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is O=C(NCC1CCOCC1)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is QEMZKNBSSBYQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-16(17-9-10-3-5-19-6-4-10)13-2-1-12-14-7-11(14)8-15(12)13/h1-2,7-8,10,14H,3-6,9H2,(H,17,18).
What are the key properties of N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123412954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).