1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone

C11H14N2O2 — CID 170027239

IUPAC1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone
SMILESCOc1nnc2c(c1C(C)=O)CCCC2
InChIInChI=1S/C11H14N2O2/c1-7(14)10-8-5-3-4-6-9(8)12-13-11(10)15-2/h3-6H2,1-2H3
InChIKeyGHWIKJGZPDKPBS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.57
Rot. Bonds2

About 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone

1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone (PubChem CID 170027239) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone
PubChem CID170027239
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone
SMILESCOc1nnc2c(c1C(C)=O)CCCC2
InChIInChI=1S/C11H14N2O2/c1-7(14)10-8-5-3-4-6-9(8)12-13-11(10)15-2/h3-6H2,1-2H3
InChIKeyGHWIKJGZPDKPBS-UHFFFAOYSA-N
XLogP1.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone?
The IUPAC name of 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone (CID 170027239) is 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone is COc1nnc2c(c1C(C)=O)CCCC2.
What is the InChIKey of 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone?
The InChIKey is GHWIKJGZPDKPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)10-8-5-3-4-6-9(8)12-13-11(10)15-2/h3-6H2,1-2H3.
What are the key properties of 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone?
1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone has a molecular weight of 206.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5,6,7,8-tetrahydrocinnolin-4-yl)ethanone is sourced from PubChem (CID 170027239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).