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

C15H15NO2 — CID 123208616

IUPACN-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H15NO2/c17-15(16-8-10-2-1-5-18-10)12-4-3-11-13-6-9(13)7-14(11)12/h3-4,6-7,10,13H,1-2,5,8H2,(H,16,17)/t10-,13?/m0/s1
InChIKeyFJURHIUNBJPVMS-NKUHCKNESA-N
MW241.29 g/mol
LogP1.64
Rot. Bonds3

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

N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123208616) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123208616
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C15H15NO2/c17-15(16-8-10-2-1-5-18-10)12-4-3-11-13-6-9(13)7-14(11)12/h3-4,6-7,10,13H,1-2,5,8H2,(H,16,17)/t10-,13?/m0/s1
InChIKeyFJURHIUNBJPVMS-NKUHCKNESA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123208616) is N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is O=C(NC[C@@H]1CCCO1)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is FJURHIUNBJPVMS-NKUHCKNESA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(16-8-10-2-1-5-18-10)12-4-3-11-13-6-9(13)7-14(11)12/h3-4,6-7,10,13H,1-2,5,8H2,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123208616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).