azetidin-1-yl-(3-iodophenyl)methanone

C10H10INO — CID 58181602

IUPACazetidin-1-yl-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCC1
InChIInChI=1S/C10H10INO/c11-9-4-1-3-8(7-9)10(13)12-5-2-6-12/h1,3-4,7H,2,5-6H2
InChIKeySZLSNOORIFJKOU-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.14
Rot. Bonds1

About azetidin-1-yl-(3-iodophenyl)methanone

azetidin-1-yl-(3-iodophenyl)methanone (PubChem CID 58181602) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is azetidin-1-yl-(3-iodophenyl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(3-iodophenyl)methanone
PubChem CID58181602
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Nameazetidin-1-yl-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)N1CCC1
InChIInChI=1S/C10H10INO/c11-9-4-1-3-8(7-9)10(13)12-5-2-6-12/h1,3-4,7H,2,5-6H2
InChIKeySZLSNOORIFJKOU-UHFFFAOYSA-N
XLogP2.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 80666361
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 95751596
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
[4-(chloromethyl)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63397891
1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
(3,3-dimethylpyrrolidin-1-yl)-(3-iodophenyl)methanone
CID 79036864
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
1-(3-iodobenzoyl)-1,4-diazepan-5-one
CID 60707871
(3-iodophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9048317
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(3-iodophenyl)methanone?
The IUPAC name of azetidin-1-yl-(3-iodophenyl)methanone (CID 58181602) is azetidin-1-yl-(3-iodophenyl)methanone.
What is the SMILES notation for azetidin-1-yl-(3-iodophenyl)methanone?
The canonical SMILES for azetidin-1-yl-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-(3-iodophenyl)methanone?
The InChIKey is SZLSNOORIFJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO/c11-9-4-1-3-8(7-9)10(13)12-5-2-6-12/h1,3-4,7H,2,5-6H2.
What are the key properties of azetidin-1-yl-(3-iodophenyl)methanone?
azetidin-1-yl-(3-iodophenyl)methanone has a molecular weight of 287.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(3-iodophenyl)methanone is sourced from PubChem (CID 58181602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).