1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one

C15H28N2O2 — CID 20681102

IUPAC1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one
SMILESCC(C)N1CC(C)(C)N(O)C2(CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-12(2)16-11-14(3,4)17(19)15(13(16)18)9-7-5-6-8-10-15/h12,19H,5-11H2,1-4H3
InChIKeyMBDUKQPGPBGKDQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.80
Rot. Bonds1

About 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one

1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one (PubChem CID 20681102) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one
PubChem CID20681102
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one
SMILESCC(C)N1CC(C)(C)N(O)C2(CCCCCC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-12(2)16-11-14(3,4)17(19)15(13(16)18)9-7-5-6-8-10-15/h12,19H,5-11H2,1-4H3
InChIKeyMBDUKQPGPBGKDQ-UHFFFAOYSA-N
XLogP2.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one?
The IUPAC name of 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one (CID 20681102) is 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one.
What is the SMILES notation for 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one?
The canonical SMILES for 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one is CC(C)N1CC(C)(C)N(O)C2(CCCCCC2)C1=O.
What is the InChIKey of 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one?
The InChIKey is MBDUKQPGPBGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)16-11-14(3,4)17(19)15(13(16)18)9-7-5-6-8-10-15/h12,19H,5-11H2,1-4H3.
What are the key properties of 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one?
1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one has a molecular weight of 268.40 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethyl-4-propan-2-yl-1,4-diazaspiro[5.6]dodecan-5-one is sourced from PubChem (CID 20681102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).