7-cyclopropyl-2-azaspiro[4.5]decan-3-one

C12H19NO — CID 66109112

IUPAC7-cyclopropyl-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCC(C3CC3)C2)CN1
InChIInChI=1S/C12H19NO/c14-11-7-12(8-13-11)5-1-2-10(6-12)9-3-4-9/h9-10H,1-8H2,(H,13,14)
InChIKeyBBWQZIHEUNPNBM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.09
Rot. Bonds1

About 7-cyclopropyl-2-azaspiro[4.5]decan-3-one

7-cyclopropyl-2-azaspiro[4.5]decan-3-one (PubChem CID 66109112) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 7-cyclopropyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-cyclopropyl-2-azaspiro[4.5]decan-3-one
PubChem CID66109112
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name7-cyclopropyl-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCC(C3CC3)C2)CN1
InChIInChI=1S/C12H19NO/c14-11-7-12(8-13-11)5-1-2-10(6-12)9-3-4-9/h9-10H,1-8H2,(H,13,14)
InChIKeyBBWQZIHEUNPNBM-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 7-cyclopropyl-2-azaspiro[4.5]decan-3-one (CID 66109112) is 7-cyclopropyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-cyclopropyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 7-cyclopropyl-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCCC(C3CC3)C2)CN1.
What is the InChIKey of 7-cyclopropyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is BBWQZIHEUNPNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-11-7-12(8-13-11)5-1-2-10(6-12)9-3-4-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 7-cyclopropyl-2-azaspiro[4.5]decan-3-one?
7-cyclopropyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 193.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 66109112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).