2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one

C11H12N2O — CID 145092727

IUPAC2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one
SMILESCCc1nc2c(c(=O)[nH]1)=CC=CCC=2
InChIInChI=1S/C11H12N2O/c1-2-10-12-9-7-5-3-4-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChIKeySKKZUHWGDKZXGU-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.15
Rot. Bonds1

About 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one

2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one (PubChem CID 145092727) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one
PubChem CID145092727
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one
SMILESCCc1nc2c(c(=O)[nH]1)=CC=CCC=2
InChIInChI=1S/C11H12N2O/c1-2-10-12-9-7-5-3-4-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChIKeySKKZUHWGDKZXGU-UHFFFAOYSA-N
XLogP-0.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,10-dihydrocyclohepta[c]quinolin-6-one
CID 142144523
2-(6-cyano-4-oxo-3,8-dihydrocyclohepta[d]pyrimidin-2-yl)acetamide
CID 143751572
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343
3,6-diethyl-5H-[1,2]thiazolo[3,4-d]pyrimidin-4-one
CID 137270080
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
CID 143553883
6,10-dihydrocyclohepta[c]isoquinolin-5-one
CID 163466679
2,6-diethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 57164201
2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane
CID 145287057
4-(3,5-dimethylphenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136691708
5-acetyl-2,4-diethyl-1H-pyrimidin-6-one
CID 135837139
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175919172

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one?
The IUPAC name of 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one (CID 145092727) is 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one is CCc1nc2c(c(=O)[nH]1)=CC=CCC=2.
What is the InChIKey of 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one?
The InChIKey is SKKZUHWGDKZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-10-12-9-7-5-3-4-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14).
What are the key properties of 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one?
2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one has a molecular weight of 188.23 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,8-dihydrocyclohepta[d]pyrimidin-4-one is sourced from PubChem (CID 145092727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).