[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone

C9H10ClNO2 — CID 130531402

IUPAC[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC(CCl)C1
InChIInChI=1S/C9H10ClNO2/c10-3-7-4-11(5-7)9(12)8-1-2-13-6-8/h1-2,6-7H,3-5H2
InChIKeyWRFTXJCTENBURI-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.59
Rot. Bonds2

About [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone

[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone (PubChem CID 130531402) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
PubChem CID130531402
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CC(CCl)C1
InChIInChI=1S/C9H10ClNO2/c10-3-7-4-11(5-7)9(12)8-1-2-13-6-8/h1-2,6-7H,3-5H2
InChIKeyWRFTXJCTENBURI-UHFFFAOYSA-N
XLogP1.59
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(furan-3-yl)methanone
CID 71809262
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
CID 81212545
(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
(5-bromofuran-2-yl)-[3-(chloromethyl)azetidin-1-yl]methanone
CID 130531342
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-3-yl)methanone
CID 120745387
N-[(3S,4R)-1-(furan-3-carbonyl)-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 133134513

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone (CID 130531402) is [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CC(CCl)C1.
What is the InChIKey of [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is WRFTXJCTENBURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-3-7-4-11(5-7)9(12)8-1-2-13-6-8/h1-2,6-7H,3-5H2.
What are the key properties of [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone?
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 199.64 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 130531402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).