3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C18H17NO2 — CID 79733157

IUPAC3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(C1COc2ccccc2C1)C1CCc2cccnc21
InChIInChI=1S/C18H17NO2/c20-18(15-8-7-12-5-3-9-19-17(12)15)14-10-13-4-1-2-6-16(13)21-11-14/h1-6,9,14-15H,7-8,10-11H2
InChIKeyZLKASTOWAMBSEN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.93
Rot. Bonds2

About 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 79733157) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID79733157
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(C1COc2ccccc2C1)C1CCc2cccnc21
InChIInChI=1S/C18H17NO2/c20-18(15-8-7-12-5-3-9-19-17(12)15)14-10-13-4-1-2-6-16(13)21-11-14/h1-6,9,14-15H,7-8,10-11H2
InChIKeyZLKASTOWAMBSEN-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1,1-dioxothiolan-3-yl)methanone
CID 113289685
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 65407017
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783640
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594595
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-methyloxolan-3-yl)methanone
CID 115783806
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 79733157) is 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is O=C(C1COc2ccccc2C1)C1CCc2cccnc21.
What is the InChIKey of 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is ZLKASTOWAMBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(15-8-7-12-5-3-9-19-17(12)15)14-10-13-4-1-2-6-16(13)21-11-14/h1-6,9,14-15H,7-8,10-11H2.
What are the key properties of 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 79733157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).