1-(chloromethyl)azonan-2-one

C9H16ClNO — CID 23348579

IUPAC1-(chloromethyl)azonan-2-one
SMILESO=C1CCCCCCCN1CCl
InChIInChI=1S/C9H16ClNO/c10-8-11-7-5-3-1-2-4-6-9(11)12/h1-8H2
InChIKeyKPYLMLKHOIKFNY-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.37
Rot. Bonds1

About 1-(chloromethyl)azonan-2-one

1-(chloromethyl)azonan-2-one (PubChem CID 23348579) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-(chloromethyl)azonan-2-one.

Molecular Properties

Compound Name1-(chloromethyl)azonan-2-one
PubChem CID23348579
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-(chloromethyl)azonan-2-one
SMILESO=C1CCCCCCCN1CCl
InChIInChI=1S/C9H16ClNO/c10-8-11-7-5-3-1-2-4-6-9(11)12/h1-8H2
InChIKeyKPYLMLKHOIKFNY-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(2-oxoazepan-1-yl)methyl]azepan-2-one
CID 11746692
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-prop-2-ynylazocan-2-one
CID 61344680
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
1-(3,3-dimethylbutyl)azepan-2-one
CID 15031641
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
CID 142011041
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)azonan-2-one?
The IUPAC name of 1-(chloromethyl)azonan-2-one (CID 23348579) is 1-(chloromethyl)azonan-2-one.
What is the SMILES notation for 1-(chloromethyl)azonan-2-one?
The canonical SMILES for 1-(chloromethyl)azonan-2-one is O=C1CCCCCCCN1CCl.
What is the InChIKey of 1-(chloromethyl)azonan-2-one?
The InChIKey is KPYLMLKHOIKFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-8-11-7-5-3-1-2-4-6-9(11)12/h1-8H2.
What are the key properties of 1-(chloromethyl)azonan-2-one?
1-(chloromethyl)azonan-2-one has a molecular weight of 189.69 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)azonan-2-one is sourced from PubChem (CID 23348579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).