2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one

C18H25NO — CID 176685640

IUPAC2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one
SMILESCc1c(C)n(C(C)C)c2c(c1=O)=CC=C(C(C)C)CC=2
InChIInChI=1S/C18H25NO/c1-11(2)15-7-9-16-17(10-8-15)19(12(3)4)14(6)13(5)18(16)20/h7,9-12H,8H2,1-6H3
InChIKeyWWLPGVIOJWNHGA-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.59
Rot. Bonds2

About 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one

2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one (PubChem CID 176685640) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one
PubChem CID176685640
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one
SMILESCc1c(C)n(C(C)C)c2c(c1=O)=CC=C(C(C)C)CC=2
InChIInChI=1S/C18H25NO/c1-11(2)15-7-9-16-17(10-8-15)19(12(3)4)14(6)13(5)18(16)20/h7,9-12H,8H2,1-6H3
InChIKeyWWLPGVIOJWNHGA-UHFFFAOYSA-N
XLogP2.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one?
The IUPAC name of 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one (CID 176685640) is 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one.
What is the SMILES notation for 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one?
The canonical SMILES for 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one is Cc1c(C)n(C(C)C)c2c(c1=O)=CC=C(C(C)C)CC=2.
What is the InChIKey of 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one?
The InChIKey is WWLPGVIOJWNHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11(2)15-7-9-16-17(10-8-15)19(12(3)4)14(6)13(5)18(16)20/h7,9-12H,8H2,1-6H3.
What are the key properties of 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one?
2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one has a molecular weight of 271.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,7-di(propan-2-yl)-8H-cyclohepta[b]pyridin-4-one is sourced from PubChem (CID 176685640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).