7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

C16H16N2O — CID 122183618

IUPAC7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESNC1CCc2cccc(-c3cccnc3)c2CC1=O
InChIInChI=1S/C16H16N2O/c17-15-7-6-11-3-1-5-13(14(11)9-16(15)19)12-4-2-8-18-10-12/h1-5,8,10,15H,6-7,9,17H2
InChIKeyRCFGWRVHSCDZNG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.13
Rot. Bonds1

About 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (PubChem CID 122183618) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.

Molecular Properties

Compound Name7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
PubChem CID122183618
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESNC1CCc2cccc(-c3cccnc3)c2CC1=O
InChIInChI=1S/C16H16N2O/c17-15-7-6-11-3-1-5-13(14(11)9-16(15)19)12-4-2-8-18-10-12/h1-5,8,10,15H,6-7,9,17H2
InChIKeyRCFGWRVHSCDZNG-UHFFFAOYSA-N
XLogP2.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The IUPAC name of 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (CID 122183618) is 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.
What is the SMILES notation for 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The canonical SMILES for 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is NC1CCc2cccc(-c3cccnc3)c2CC1=O.
What is the InChIKey of 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The InChIKey is RCFGWRVHSCDZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-15-7-6-11-3-1-5-13(14(11)9-16(15)19)12-4-2-8-18-10-12/h1-5,8,10,15H,6-7,9,17H2.
What are the key properties of 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one has a molecular weight of 252.32 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is sourced from PubChem (CID 122183618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).