2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone

C6H10ClNO2 — CID 165442368

IUPAC2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone
SMILESO=C(CCl)N1CCC1CO
InChIInChI=1S/C6H10ClNO2/c7-3-6(10)8-2-1-5(8)4-9/h5,9H,1-4H2
InChIKeyXNHDDWVDEHGHGP-UHFFFAOYSA-N
MW163.60 g/mol
LogP-0.18
Rot. Bonds2

About 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone

2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone (PubChem CID 165442368) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone
PubChem CID165442368
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone
SMILESO=C(CCl)N1CCC1CO
InChIInChI=1S/C6H10ClNO2/c7-3-6(10)8-2-1-5(8)4-9/h5,9H,1-4H2
InChIKeyXNHDDWVDEHGHGP-UHFFFAOYSA-N
XLogP-0.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634371
2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
CID 178160134
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropanenitrile
CID 61409516
3,3,3-trifluoro-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79029042
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone (CID 165442368) is 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone is O=C(CCl)N1CCC1CO.
What is the InChIKey of 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone?
The InChIKey is XNHDDWVDEHGHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c7-3-6(10)8-2-1-5(8)4-9/h5,9H,1-4H2.
What are the key properties of 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone?
2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone has a molecular weight of 163.60 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(hydroxymethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 165442368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).