7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one

C11H13NO — CID 142873996

IUPAC7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one
SMILESCC1C=CC2=C(C=C1)C(=O)CCN2
InChIInChI=1S/C11H13NO/c1-8-2-4-9-10(5-3-8)12-7-6-11(9)13/h2-5,8,12H,6-7H2,1H3
InChIKeyPUXFXJCJNDZHRY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.57
Rot. Bonds

About 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one

7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one (PubChem CID 142873996) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one.

Molecular Properties

Compound Name7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one
PubChem CID142873996
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one
SMILESCC1C=CC2=C(C=C1)C(=O)CCN2
InChIInChI=1S/C11H13NO/c1-8-2-4-9-10(5-3-8)12-7-6-11(9)13/h2-5,8,12H,6-7H2,1H3
InChIKeyPUXFXJCJNDZHRY-UHFFFAOYSA-N
XLogP1.57
TPSA29.10 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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one?
The IUPAC name of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one (CID 142873996) is 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one.
What is the SMILES notation for 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one?
The canonical SMILES for 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one is CC1C=CC2=C(C=C1)C(=O)CCN2.
What is the InChIKey of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one?
The InChIKey is PUXFXJCJNDZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-2-4-9-10(5-3-8)12-7-6-11(9)13/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one?
7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one has a molecular weight of 175.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one is sourced from PubChem (CID 142873996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).