6-ethyl-2-propan-2-yl-3H-isoindol-1-one

C13H17NO — CID 71066779

IUPAC6-ethyl-2-propan-2-yl-3H-isoindol-1-one
SMILESCCc1ccc2c(c1)C(=O)N(C(C)C)C2
InChIInChI=1S/C13H17NO/c1-4-10-5-6-11-8-14(9(2)3)13(15)12(11)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyOAQUQUWESWFDAI-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.61
Rot. Bonds2

About 6-ethyl-2-propan-2-yl-3H-isoindol-1-one

6-ethyl-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 71066779) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-ethyl-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-ethyl-2-propan-2-yl-3H-isoindol-1-one
PubChem CID71066779
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-ethyl-2-propan-2-yl-3H-isoindol-1-one
SMILESCCc1ccc2c(c1)C(=O)N(C(C)C)C2
InChIInChI=1S/C13H17NO/c1-4-10-5-6-11-8-14(9(2)3)13(15)12(11)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyOAQUQUWESWFDAI-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 6-ethyl-2-propan-2-yl-3H-isoindol-1-one (CID 71066779) is 6-ethyl-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 6-ethyl-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 6-ethyl-2-propan-2-yl-3H-isoindol-1-one is CCc1ccc2c(c1)C(=O)N(C(C)C)C2.
What is the InChIKey of 6-ethyl-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is OAQUQUWESWFDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-10-5-6-11-8-14(9(2)3)13(15)12(11)7-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 6-ethyl-2-propan-2-yl-3H-isoindol-1-one?
6-ethyl-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 203.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 71066779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).