9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

C14H18F2N2O2 — CID 131695002

IUPAC9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(C1=CCCC1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)7-13(5-6-17-12(13)20)8-18(9-14)11(19)10-3-1-2-4-10/h3H,1-2,4-9H2,(H,17,20)
InChIKeySCLMFCNIWULURP-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.47
Rot. Bonds1

About 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695002) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695002
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(C1=CCCC1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)7-13(5-6-17-12(13)20)8-18(9-14)11(19)10-3-1-2-4-10/h3H,1-2,4-9H2,(H,17,20)
InChIKeySCLMFCNIWULURP-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (CID 131695002) is 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is O=C(C1=CCCC1)N1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is SCLMFCNIWULURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)7-13(5-6-17-12(13)20)8-18(9-14)11(19)10-3-1-2-4-10/h3H,1-2,4-9H2,(H,17,20).
What are the key properties of 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 284.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopentene-1-carbonyl)-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).