5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one

C14H17NO3 — CID 82172745

IUPAC5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(O)C2CCCO2)cc2c1NC(=O)C2
InChIInChI=1S/C14H17NO3/c1-8-5-10(14(17)11-3-2-4-18-11)6-9-7-12(16)15-13(8)9/h5-6,11,14,17H,2-4,7H2,1H3,(H,15,16)
InChIKeyUZMCPAKIMYGJGD-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds2

About 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one

5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82172745) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID82172745
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(C(O)C2CCCO2)cc2c1NC(=O)C2
InChIInChI=1S/C14H17NO3/c1-8-5-10(14(17)11-3-2-4-18-11)6-9-7-12(16)15-13(8)9/h5-6,11,14,17H,2-4,7H2,1H3,(H,15,16)
InChIKeyUZMCPAKIMYGJGD-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174151
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789
(3,4-diethylphenyl)-(oxolan-2-yl)methanol
CID 113319177
6-[hydroxy(oxan-2-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 62213203
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
5-fluoro-7-[hydroxy(oxolan-2-yl)methyl]-3-methyl-1,3-dihydroindol-2-one
CID 82173255
5-[hydroxy(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213913
6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43493722

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 82172745) is 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one is Cc1cc(C(O)C2CCCO2)cc2c1NC(=O)C2.
What is the InChIKey of 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is UZMCPAKIMYGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-5-10(14(17)11-3-2-4-18-11)6-9-7-12(16)15-13(8)9/h5-6,11,14,17H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one?
5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(oxolan-2-yl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).