7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

C11H13NO — CID 24975348

IUPAC7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESNC1CCc2ccccc2CC1=O
InChIInChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
InChIKeyCDGUKZZVDUXXJQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.07
Rot. Bonds

About 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (PubChem CID 24975348) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.

Molecular Properties

Compound Name7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
PubChem CID24975348
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
SMILESNC1CCc2ccccc2CC1=O
InChIInChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2
InChIKeyCDGUKZZVDUXXJQ-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The IUPAC name of 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one (CID 24975348) is 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one.
What is the SMILES notation for 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The canonical SMILES for 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is NC1CCc2ccccc2CC1=O.
What is the InChIKey of 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
The InChIKey is CDGUKZZVDUXXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-10-6-5-8-3-1-2-4-9(8)7-11(10)13/h1-4,10H,5-7,12H2.
What are the key properties of 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one?
7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one has a molecular weight of 175.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one is sourced from PubChem (CID 24975348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).