7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C15H16ClNO2 — CID 122183565

IUPAC7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(cccc2-c2ccco2)CC1=O
InChIInChI=1S/C15H15NO2.ClH/c16-13-7-6-11-10(9-14(13)17)3-1-4-12(11)15-5-2-8-18-15;/h1-5,8,13H,6-7,9,16H2;1H
InChIKeyIMTLMAPNHQZSNG-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.75
Rot. Bonds1

About 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 122183565) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID122183565
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(cccc2-c2ccco2)CC1=O
InChIInChI=1S/C15H15NO2.ClH/c16-13-7-6-11-10(9-14(13)17)3-1-4-12(11)15-5-2-8-18-15;/h1-5,8,13H,6-7,9,16H2;1H
InChIKeyIMTLMAPNHQZSNG-UHFFFAOYSA-N
XLogP2.75
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 122183565) is 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.NC1CCc2c(cccc2-c2ccco2)CC1=O.
What is the InChIKey of 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is IMTLMAPNHQZSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.ClH/c16-13-7-6-11-10(9-14(13)17)3-1-4-12(11)15-5-2-8-18-15;/h1-5,8,13H,6-7,9,16H2;1H.
What are the key properties of 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(furan-2-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 122183565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).