(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one

C15H13NO — CID 125481336

IUPAC(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
SMILESC[C@@H]1c2ccccc2C(=O)[C@H]1c1cccnc1
InChIInChI=1S/C15H13NO/c1-10-12-6-2-3-7-13(12)15(17)14(10)11-5-4-8-16-9-11/h2-10,14H,1H3/t10-,14-/m1/s1
InChIKeyCVNKEUWXXVWTLO-QMTHXVAHSA-N
MW223.28 g/mol
LogP3.17
Rot. Bonds1

About (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one

(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one (PubChem CID 125481336) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
PubChem CID125481336
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
SMILESC[C@@H]1c2ccccc2C(=O)[C@H]1c1cccnc1
InChIInChI=1S/C15H13NO/c1-10-12-6-2-3-7-13(12)15(17)14(10)11-5-4-8-16-9-11/h2-10,14H,1H3/t10-,14-/m1/s1
InChIKeyCVNKEUWXXVWTLO-QMTHXVAHSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 132948263
3-(1H-imidazol-5-yl)-2-methyl-2,3-dihydroinden-1-one
CID 22897475
(2S,3R)-2-imidazol-1-yl-3-methyl-2,3-dihydroinden-1-one
CID 70456642
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6-[3-(dimethylamino)propoxy]-3-phenyl-2-pyridin-3-yl-2,3-dihydroinden-1-one
CID 174646579
(2S,3S)-2-(2-methylphenyl)-3-phenyl-2,3-dihydroinden-1-one
CID 53475427
2-methoxy-3-phenyl-2,3-dihydroinden-1-one
CID 21322030
3-[(1R,2R)-2-methylcyclopropyl]pyridine
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CID 71271707
(2S)-1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one?
The IUPAC name of (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one (CID 125481336) is (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one?
The canonical SMILES for (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one is C[C@@H]1c2ccccc2C(=O)[C@H]1c1cccnc1.
What is the InChIKey of (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one?
The InChIKey is CVNKEUWXXVWTLO-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-12-6-2-3-7-13(12)15(17)14(10)11-5-4-8-16-9-11/h2-10,14H,1H3/t10-,14-/m1/s1.
What are the key properties of (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one?
(2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one has a molecular weight of 223.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-pyridin-3-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 125481336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).