3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one

C17H20N2O — CID 146107926

IUPAC3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CNC1CCCc2ccccc2C1
InChIInChI=1S/C17H20N2O/c20-17-15(8-4-10-18-17)12-19-16-9-3-7-13-5-1-2-6-14(13)11-16/h1-2,4-6,8,10,16,19H,3,7,9,11-12H2,(H,18,20)
InChIKeyPDFGYSOIUKKXFI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.41
Rot. Bonds3

About 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one

3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 146107926) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one
PubChem CID146107926
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CNC1CCCc2ccccc2C1
InChIInChI=1S/C17H20N2O/c20-17-15(8-4-10-18-17)12-19-16-9-3-7-13-5-1-2-6-14(13)11-16/h1-2,4-6,8,10,16,19H,3,7,9,11-12H2,(H,18,20)
InChIKeyPDFGYSOIUKKXFI-UHFFFAOYSA-N
XLogP2.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one (CID 146107926) is 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one is O=c1[nH]cccc1CNC1CCCc2ccccc2C1.
What is the InChIKey of 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is PDFGYSOIUKKXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-15(8-4-10-18-17)12-19-16-9-3-7-13-5-1-2-6-14(13)11-16/h1-2,4-6,8,10,16,19H,3,7,9,11-12H2,(H,18,20).
What are the key properties of 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one?
3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 146107926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).