1-propan-2-ylazonan-2-one

C11H21NO — CID 101216305

IUPAC1-propan-2-ylazonan-2-one
SMILESCC(C)N1CCCCCCCC1=O
InChIInChI=1S/C11H21NO/c1-10(2)12-9-7-5-3-4-6-8-11(12)13/h10H,3-9H2,1-2H3
InChIKeyMIFKMUGPEWDFBQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.58
Rot. Bonds1

About 1-propan-2-ylazonan-2-one

1-propan-2-ylazonan-2-one (PubChem CID 101216305) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-propan-2-ylazonan-2-one.

Molecular Properties

Compound Name1-propan-2-ylazonan-2-one
PubChem CID101216305
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-propan-2-ylazonan-2-one
SMILESCC(C)N1CCCCCCCC1=O
InChIInChI=1S/C11H21NO/c1-10(2)12-9-7-5-3-4-6-8-11(12)13/h10H,3-9H2,1-2H3
InChIKeyMIFKMUGPEWDFBQ-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylazonan-2-one?
The IUPAC name of 1-propan-2-ylazonan-2-one (CID 101216305) is 1-propan-2-ylazonan-2-one.
What is the SMILES notation for 1-propan-2-ylazonan-2-one?
The canonical SMILES for 1-propan-2-ylazonan-2-one is CC(C)N1CCCCCCCC1=O.
What is the InChIKey of 1-propan-2-ylazonan-2-one?
The InChIKey is MIFKMUGPEWDFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)12-9-7-5-3-4-6-8-11(12)13/h10H,3-9H2,1-2H3.
What are the key properties of 1-propan-2-ylazonan-2-one?
1-propan-2-ylazonan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylazonan-2-one is sourced from PubChem (CID 101216305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).