6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one

C15H17N3O2 — CID 126748439

IUPAC6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one
SMILESC=C1NC(=O)NC1CN1Cc2ccc(CC)cc2C1=O
InChIInChI=1S/C15H17N3O2/c1-3-10-4-5-11-7-18(14(19)12(11)6-10)8-13-9(2)16-15(20)17-13/h4-6,13H,2-3,7-8H2,1H3,(H2,16,17,20)
InChIKeyDABLRSXJFOJSOE-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.40
Rot. Bonds3

About 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one

6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one (PubChem CID 126748439) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one
PubChem CID126748439
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one
SMILESC=C1NC(=O)NC1CN1Cc2ccc(CC)cc2C1=O
InChIInChI=1S/C15H17N3O2/c1-3-10-4-5-11-7-18(14(19)12(11)6-10)8-13-9(2)16-15(20)17-13/h4-6,13H,2-3,7-8H2,1H3,(H2,16,17,20)
InChIKeyDABLRSXJFOJSOE-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one?
The IUPAC name of 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one (CID 126748439) is 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one is C=C1NC(=O)NC1CN1Cc2ccc(CC)cc2C1=O.
What is the InChIKey of 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one?
The InChIKey is DABLRSXJFOJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-10-4-5-11-7-18(14(19)12(11)6-10)8-13-9(2)16-15(20)17-13/h4-6,13H,2-3,7-8H2,1H3,(H2,16,17,20).
What are the key properties of 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one?
6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one has a molecular weight of 271.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(5-methylidene-2-oxoimidazolidin-4-yl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 126748439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).