2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone

C14H23NO — CID 54586816

IUPAC2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone
SMILESO=C(C1CC1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C14H23NO/c16-13(12-5-6-12)15-10-4-9-14(11-15)7-2-1-3-8-14/h12H,1-11H2
InChIKeyQASDGGKIRNUREO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds1

About 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone

2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone (PubChem CID 54586816) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone.

Molecular Properties

Compound Name2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone
PubChem CID54586816
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone
SMILESO=C(C1CC1)N1CCCC2(CCCCC2)C1
InChIInChI=1S/C14H23NO/c16-13(12-5-6-12)15-10-4-9-14(11-15)7-2-1-3-8-14/h12H,1-11H2
InChIKeyQASDGGKIRNUREO-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone?
The IUPAC name of 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone (CID 54586816) is 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone.
What is the SMILES notation for 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone?
The canonical SMILES for 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone is O=C(C1CC1)N1CCCC2(CCCCC2)C1.
What is the InChIKey of 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone?
The InChIKey is QASDGGKIRNUREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-13(12-5-6-12)15-10-4-9-14(11-15)7-2-1-3-8-14/h12H,1-11H2.
What are the key properties of 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone?
2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone has a molecular weight of 221.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.5]undecan-2-yl(cyclopropyl)methanone is sourced from PubChem (CID 54586816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).