3-methylazonan-2-one

C9H17NO — CID 59032742

IUPAC3-methylazonan-2-one
SMILESCC1CCCCCCNC1=O
InChIInChI=1S/C9H17NO/c1-8-6-4-2-3-5-7-10-9(8)11/h8H,2-7H2,1H3,(H,10,11)
InChIKeyKZOASZXJDRHCLC-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds

About 3-methylazonan-2-one

3-methylazonan-2-one (PubChem CID 59032742) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methylazonan-2-one.

Molecular Properties

Compound Name3-methylazonan-2-one
PubChem CID59032742
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methylazonan-2-one
SMILESCC1CCCCCCNC1=O
InChIInChI=1S/C9H17NO/c1-8-6-4-2-3-5-7-10-9(8)11/h8H,2-7H2,1H3,(H,10,11)
InChIKeyKZOASZXJDRHCLC-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-azacycloundecan-2-one
CID 118421477
3-methylazepan-2-one
CID 581216
3-methylazepan-2-one;molecular hydrogen
CID 142072840
ethane;3-methylazepan-2-one;propane
CID 142177771
2,2,6-trimethyl-1-oxa-8-azacyclotetradecan-7-one
CID 118518693
3-methylpiperidin-2-one;5-methylpiperidin-2-one
CID 157332595
3-bromo-azacycloundecan-2-one
CID 119089730
3-chloroazocan-2-one
CID 12706376
3-(1-aminoethyl)azocan-2-one
CID 23959350
3-methylazonane-2,9-dione
CID 175922762
3-(3,5-dimethylcyclohexyl)azepan-2-one
CID 104679675
3-aminoazepan-2-one;nickel
CID 88838711

Frequently Asked Questions

What is the IUPAC name of 3-methylazonan-2-one?
The IUPAC name of 3-methylazonan-2-one (CID 59032742) is 3-methylazonan-2-one.
What is the SMILES notation for 3-methylazonan-2-one?
The canonical SMILES for 3-methylazonan-2-one is CC1CCCCCCNC1=O.
What is the InChIKey of 3-methylazonan-2-one?
The InChIKey is KZOASZXJDRHCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-6-4-2-3-5-7-10-9(8)11/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of 3-methylazonan-2-one?
3-methylazonan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazonan-2-one is sourced from PubChem (CID 59032742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).