6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one

C17H22N2O3 — CID 136586898

IUPAC6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCO[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1
InChIInChI=1S/C17H22N2O3/c1-4-22-12-7-8-19(10-12)15(20)11-5-6-13-14(9-11)18-16(21)17(13,2)3/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeySTJRXZBTJFRBEW-LBPRGKRZSA-N
MW302.37 g/mol
LogP2.17
Rot. Bonds3

About 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one

6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 136586898) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID136586898
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCO[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1
InChIInChI=1S/C17H22N2O3/c1-4-22-12-7-8-19(10-12)15(20)11-5-6-13-14(9-11)18-16(21)17(13,2)3/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChIKeySTJRXZBTJFRBEW-LBPRGKRZSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one (CID 136586898) is 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one is CCO[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1.
What is the InChIKey of 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is STJRXZBTJFRBEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-22-12-7-8-19(10-12)15(20)11-5-6-13-14(9-11)18-16(21)17(13,2)3/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,21)/t12-/m0/s1.
What are the key properties of 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one?
6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-ethoxypyrrolidine-1-carbonyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 136586898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).