1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

C13H20N2O2 — CID 163307131

IUPAC1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(=O)N1CCCC12CCCN(C1CC1)C2=O
InChIInChI=1S/C13H20N2O2/c1-10(16)15-9-3-7-13(15)6-2-8-14(12(13)17)11-4-5-11/h11H,2-9H2,1H3
InChIKeyHTNKFZCIVUCGRT-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.15
Rot. Bonds1

About 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one

1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163307131) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163307131
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(=O)N1CCCC12CCCN(C1CC1)C2=O
InChIInChI=1S/C13H20N2O2/c1-10(16)15-9-3-7-13(15)6-2-8-14(12(13)17)11-4-5-11/h11H,2-9H2,1H3
InChIKeyHTNKFZCIVUCGRT-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one (CID 163307131) is 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is CC(=O)N1CCCC12CCCN(C1CC1)C2=O.
What is the InChIKey of 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is HTNKFZCIVUCGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)15-9-3-7-13(15)6-2-8-14(12(13)17)11-4-5-11/h11H,2-9H2,1H3.
What are the key properties of 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one?
1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 236.31 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163307131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).