6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one

C17H25NO2 — CID 138464944

IUPAC6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one
SMILESCCCC(CCNC)CC1Cc2ccc(O)cc2C1=O
InChIInChI=1S/C17H25NO2/c1-3-4-12(7-8-18-2)9-14-10-13-5-6-15(19)11-16(13)17(14)20/h5-6,11-12,14,18-19H,3-4,7-10H2,1-2H3
InChIKeyXDJNWPKSHWRSTO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.16
Rot. Bonds7

About 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one

6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one (PubChem CID 138464944) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one
PubChem CID138464944
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one
SMILESCCCC(CCNC)CC1Cc2ccc(O)cc2C1=O
InChIInChI=1S/C17H25NO2/c1-3-4-12(7-8-18-2)9-14-10-13-5-6-15(19)11-16(13)17(14)20/h5-6,11-12,14,18-19H,3-4,7-10H2,1-2H3
InChIKeyXDJNWPKSHWRSTO-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one?
The IUPAC name of 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one (CID 138464944) is 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one is CCCC(CCNC)CC1Cc2ccc(O)cc2C1=O.
What is the InChIKey of 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one?
The InChIKey is XDJNWPKSHWRSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-12(7-8-18-2)9-14-10-13-5-6-15(19)11-16(13)17(14)20/h5-6,11-12,14,18-19H,3-4,7-10H2,1-2H3.
What are the key properties of 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one?
6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-[2-[2-(methylamino)ethyl]pentyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 138464944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).