7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one

C13H11FN2O — CID 171765054

IUPAC7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one
SMILESCC1(C)c2cc(F)ccc2-c2cnc(=O)[nH]c21
InChIInChI=1S/C13H11FN2O/c1-13(2)10-5-7(14)3-4-8(10)9-6-15-12(17)16-11(9)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyLHYDTMVZYYWUIP-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.22
Rot. Bonds

About 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one

7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one (PubChem CID 171765054) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one
PubChem CID171765054
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one
SMILESCC1(C)c2cc(F)ccc2-c2cnc(=O)[nH]c21
InChIInChI=1S/C13H11FN2O/c1-13(2)10-5-7(14)3-4-8(10)9-6-15-12(17)16-11(9)13/h3-6H,1-2H3,(H,15,16,17)
InChIKeyLHYDTMVZYYWUIP-UHFFFAOYSA-N
XLogP2.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-fluoro-2-methylphenyl)-5-methyl-1H-pyrimidin-2-one
CID 106514972
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
CID 59742364
3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 66834694
6-(2,4-dimethylphenyl)-5-fluoro-1H-pyrimidin-2-one
CID 106516880
6-fluoro-2,4,4-trimethyl-3H-isoquinolin-1-one
CID 177485750
2-fluoro-5,9,9-trimethylfluorene
CID 126538436
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
4,4-dichloro-1,6-difluoro-3,3-dimethylisoquinoline
CID 153306171
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 167326908
3-fluoro-9,9-dimethylfluorene
CID 130217991

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one?
The IUPAC name of 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one (CID 171765054) is 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one.
What is the SMILES notation for 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one?
The canonical SMILES for 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one is CC1(C)c2cc(F)ccc2-c2cnc(=O)[nH]c21.
What is the InChIKey of 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one?
The InChIKey is LHYDTMVZYYWUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-13(2)10-5-7(14)3-4-8(10)9-6-15-12(17)16-11(9)13/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one?
7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one has a molecular weight of 230.24 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-9,9-dimethyl-1H-indeno[2,1-d]pyrimidin-2-one is sourced from PubChem (CID 171765054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).