5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one

C15H22N2O — CID 80500330

IUPAC5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCNC(CC)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-5-12(16-6-2)10-7-8-13-11(9-10)15(3,4)14(18)17-13/h7-9,12,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyUXVUUQIGMAGUDZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.98
Rot. Bonds4

About 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one

5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 80500330) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID80500330
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one
SMILESCCNC(CC)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-5-12(16-6-2)10-7-8-13-11(9-10)15(3,4)14(18)17-13/h7-9,12,16H,5-6H2,1-4H3,(H,17,18)
InChIKeyUXVUUQIGMAGUDZ-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one (CID 80500330) is 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one is CCNC(CC)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is UXVUUQIGMAGUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-12(16-6-2)10-7-8-13-11(9-10)15(3,4)14(18)17-13/h7-9,12,16H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one?
5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80500330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).