(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole

C12H17NO — CID 58740920

IUPAC(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
SMILESCCN1c2ccccc2C[C@H]1COC
InChIInChI=1S/C12H17NO/c1-3-13-11(9-14-2)8-10-6-4-5-7-12(10)13/h4-7,11H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyUTIOMTNIUGAFFD-NSHDSACASA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds3

About (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole

(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole (PubChem CID 58740920) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
PubChem CID58740920
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
SMILESCCN1c2ccccc2C[C@H]1COC
InChIInChI=1S/C12H17NO/c1-3-13-11(9-14-2)8-10-6-4-5-7-12(10)13/h4-7,11H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyUTIOMTNIUGAFFD-NSHDSACASA-N
XLogP2.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole?
The IUPAC name of (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole (CID 58740920) is (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole.
What is the SMILES notation for (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole?
The canonical SMILES for (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole is CCN1c2ccccc2C[C@H]1COC.
What is the InChIKey of (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole?
The InChIKey is UTIOMTNIUGAFFD-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO/c1-3-13-11(9-14-2)8-10-6-4-5-7-12(10)13/h4-7,11H,3,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole?
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole has a molecular weight of 191.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole is sourced from PubChem (CID 58740920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).