2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone

C13H11N3O — CID 116554112

IUPAC2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H11N3O/c17-13(11-6-14-8-15-7-11)10-1-2-12-9(5-10)3-4-16-12/h1-2,5-8,16H,3-4H2
InChIKeyCJJSNRFUIUIDLK-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.68
Rot. Bonds2

About 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone

2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone (PubChem CID 116554112) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
PubChem CID116554112
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H11N3O/c17-13(11-6-14-8-15-7-11)10-1-2-12-9(5-10)3-4-16-12/h1-2,5-8,16H,3-4H2
InChIKeyCJJSNRFUIUIDLK-UHFFFAOYSA-N
XLogP1.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1H-indol-5-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116554152
2,3-dihydro-1H-indol-5-yl(quinolin-3-yl)methanone
CID 116554096
2,3-dihydro-1H-indol-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 116554126
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2,3-dihydro-1H-indol-5-yl-(3,4-dimethoxyphenyl)methanone
CID 116554163
2,3-dihydro-1H-indol-5-yl-(2,4-dimethylphenyl)methanone
CID 116554075
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
2,3-dihydro-1H-indol-5-yl-(2,3,4-trifluorophenyl)methanone
CID 116554224
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
CID 116554116

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone (CID 116554112) is 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone is O=C(c1cncnc1)c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone?
The InChIKey is CJJSNRFUIUIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13(11-6-14-8-15-7-11)10-1-2-12-9(5-10)3-4-16-12/h1-2,5-8,16H,3-4H2.
What are the key properties of 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone?
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone has a molecular weight of 225.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone is sourced from PubChem (CID 116554112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).