9-(azocan-2-yl)spiro[4.5]decan-8-one

C17H29NO — CID 114239639

IUPAC9-(azocan-2-yl)spiro[4.5]decan-8-one
SMILESO=C1CCC2(CCCC2)CC1C1CCCCCCN1
InChIInChI=1S/C17H29NO/c19-16-8-11-17(9-4-5-10-17)13-14(16)15-7-3-1-2-6-12-18-15/h14-15,18H,1-13H2
InChIKeyPZIHPCHJRRYGGI-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.84
Rot. Bonds1

About 9-(azocan-2-yl)spiro[4.5]decan-8-one

9-(azocan-2-yl)spiro[4.5]decan-8-one (PubChem CID 114239639) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 9-(azocan-2-yl)spiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(azocan-2-yl)spiro[4.5]decan-8-one
PubChem CID114239639
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name9-(azocan-2-yl)spiro[4.5]decan-8-one
SMILESO=C1CCC2(CCCC2)CC1C1CCCCCCN1
InChIInChI=1S/C17H29NO/c19-16-8-11-17(9-4-5-10-17)13-14(16)15-7-3-1-2-6-12-18-15/h14-15,18H,1-13H2
InChIKeyPZIHPCHJRRYGGI-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
4-methyl-2-piperidin-2-ylcyclohexan-1-one
CID 79539174
2-(azepan-2-yl)cycloheptane-1,3-dione
CID 107430820
2-(azepan-2-yl)-4-propan-2-ylcyclohexan-1-one
CID 79536826
(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
CID 102319648
2-(azocan-2-yl)-4-propylcyclohexan-1-one
CID 114239631
2-(azepan-2-yl)-4-propylcyclohexan-1-one
CID 79539667
2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 126837540
4-piperidin-2-ylcyclohexan-1-one
CID 83262290
2-pyrrolidin-2-ylpiperidine
CID 14810994
2-pyrrolidin-2-ylcyclohexane-1,3-dione
CID 107430772

Frequently Asked Questions

What is the IUPAC name of 9-(azocan-2-yl)spiro[4.5]decan-8-one?
The IUPAC name of 9-(azocan-2-yl)spiro[4.5]decan-8-one (CID 114239639) is 9-(azocan-2-yl)spiro[4.5]decan-8-one.
What is the SMILES notation for 9-(azocan-2-yl)spiro[4.5]decan-8-one?
The canonical SMILES for 9-(azocan-2-yl)spiro[4.5]decan-8-one is O=C1CCC2(CCCC2)CC1C1CCCCCCN1.
What is the InChIKey of 9-(azocan-2-yl)spiro[4.5]decan-8-one?
The InChIKey is PZIHPCHJRRYGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c19-16-8-11-17(9-4-5-10-17)13-14(16)15-7-3-1-2-6-12-18-15/h14-15,18H,1-13H2.
What are the key properties of 9-(azocan-2-yl)spiro[4.5]decan-8-one?
9-(azocan-2-yl)spiro[4.5]decan-8-one has a molecular weight of 263.42 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(azocan-2-yl)spiro[4.5]decan-8-one is sourced from PubChem (CID 114239639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).