(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone

C14H17NO3 — CID 110714045

IUPAC(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN2C(=O)C1CCCO1
InChIInChI=1S/C14H17NO3/c1-17-11-4-5-12-10(9-11)6-7-15(12)14(16)13-3-2-8-18-13/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyJXZHSNGMPUYSGL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.76
Rot. Bonds2

About (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone

(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone (PubChem CID 110714045) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
PubChem CID110714045
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN2C(=O)C1CCCO1
InChIInChI=1S/C14H17NO3/c1-17-11-4-5-12-10(9-11)6-7-15(12)14(16)13-3-2-8-18-13/h4-5,9,13H,2-3,6-8H2,1H3
InChIKeyJXZHSNGMPUYSGL-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-(oxolan-2-yl)methanone
CID 110673151
(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
5-(5-methoxy-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110742280
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
CID 110289151
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030083
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-5-methoxy-2,3-dihydroindole-1-carboxamide
CID 94867044
cyclobutyl-[5-[1-(oxolane-2-carbonyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305142
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(oxan-4-yl)ethanone
CID 120790812
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone (CID 110714045) is (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone is COc1ccc2c(c1)CCN2C(=O)C1CCCO1.
What is the InChIKey of (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is JXZHSNGMPUYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-11-4-5-12-10(9-11)6-7-15(12)14(16)13-3-2-8-18-13/h4-5,9,13H,2-3,6-8H2,1H3.
What are the key properties of (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone?
(5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydroindol-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 110714045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).