2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

C15H23NO — CID 83206830

IUPAC2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCCC(CC)Cn1cc2c(c1)C(=O)CCCC2
InChIInChI=1S/C15H23NO/c1-3-12(4-2)9-16-10-13-7-5-6-8-15(17)14(13)11-16/h10-12H,3-9H2,1-2H3
InChIKeyPOXUGBVELVERDS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.83
Rot. Bonds4

About 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83206830) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83206830
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCCC(CC)Cn1cc2c(c1)C(=O)CCCC2
InChIInChI=1S/C15H23NO/c1-3-12(4-2)9-16-10-13-7-5-6-8-15(17)14(13)11-16/h10-12H,3-9H2,1-2H3
InChIKeyPOXUGBVELVERDS-UHFFFAOYSA-N
XLogP3.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83206830) is 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is CCC(CC)Cn1cc2c(c1)C(=O)CCCC2.
What is the InChIKey of 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is POXUGBVELVERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-12(4-2)9-16-10-13-7-5-6-8-15(17)14(13)11-16/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 233.35 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83206830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).