3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one

C11H19NO — CID 130992491

IUPAC3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
SMILESCCN(C1=CC(=O)CC1)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-5-12(11(2,3)4)9-6-7-10(13)8-9/h8H,5-7H2,1-4H3
InChIKeyFZWXTTJJXNNFSR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.35
Rot. Bonds2

About 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one

3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one (PubChem CID 130992491) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
PubChem CID130992491
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
SMILESCCN(C1=CC(=O)CC1)C(C)(C)C
InChIInChI=1S/C11H19NO/c1-5-12(11(2,3)4)9-6-7-10(13)8-9/h8H,5-7H2,1-4H3
InChIKeyFZWXTTJJXNNFSR-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one (CID 130992491) is 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one is CCN(C1=CC(=O)CC1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one?
The InChIKey is FZWXTTJJXNNFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-12(11(2,3)4)9-6-7-10(13)8-9/h8H,5-7H2,1-4H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one?
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 130992491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).