5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one

C16H29FN2O — CID 178108517

IUPAC5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCCN(C(C)CCCC(=O)N1CCCC1)C1CC(F)C1
InChIInChI=1S/C16H29FN2O/c1-3-19(15-11-14(17)12-15)13(2)7-6-8-16(20)18-9-4-5-10-18/h13-15H,3-12H2,1-2H3
InChIKeyKUOUIYRVXCMVBB-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.99
Rot. Bonds7

About 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one

5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 178108517) has the molecular formula C16H29FN2O and a molecular weight of 284.42 g/mol. Its IUPAC name is 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one
PubChem CID178108517
Molecular FormulaC16H29FN2O
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCCN(C(C)CCCC(=O)N1CCCC1)C1CC(F)C1
InChIInChI=1S/C16H29FN2O/c1-3-19(15-11-14(17)12-15)13(2)7-6-8-16(20)18-9-4-5-10-18/h13-15H,3-12H2,1-2H3
InChIKeyKUOUIYRVXCMVBB-UHFFFAOYSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one (CID 178108517) is 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one is CCN(C(C)CCCC(=O)N1CCCC1)C1CC(F)C1.
What is the InChIKey of 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is KUOUIYRVXCMVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O/c1-3-19(15-11-14(17)12-15)13(2)7-6-8-16(20)18-9-4-5-10-18/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 284.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(3-fluorocyclobutyl)amino]-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 178108517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).