(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C13H14INO2 — CID 66371264

IUPAC(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cccc(I)c1)N1CC2CCC(C1)O2
InChIInChI=1S/C13H14INO2/c14-10-3-1-2-9(6-10)13(16)15-7-11-4-5-12(8-15)17-11/h1-3,6,11-12H,4-5,7-8H2
InChIKeyBYIQEXCTQHKLPR-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.29
Rot. Bonds1

About (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66371264) has the molecular formula C13H14INO2 and a molecular weight of 343.16 g/mol. Its IUPAC name is (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66371264
Molecular FormulaC13H14INO2
Molecular Weight343.16 g/mol
Exact Mass343.01
IUPAC Name(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cccc(I)c1)N1CC2CCC(C1)O2
InChIInChI=1S/C13H14INO2/c14-10-3-1-2-9(6-10)13(16)15-7-11-4-5-12(8-15)17-11/h1-3,6,11-12H,4-5,7-8H2
InChIKeyBYIQEXCTQHKLPR-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

3-[3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)phenyl]prop-2-enoic acid
CID 77126544
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071
[(3R)-3-aminopyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 81469857
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
(4-aminopiperidin-1-yl)-(3-iodophenyl)methanone
CID 43556170
azetidin-1-yl-(3-iodophenyl)methanone
CID 58181602
(4-amino-3-methylpiperidin-1-yl)-(3-iodophenyl)methanone
CID 79879651
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 62371120
(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
(3-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202818
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66371264) is (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cccc(I)c1)N1CC2CCC(C1)O2.
What is the InChIKey of (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is BYIQEXCTQHKLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO2/c14-10-3-1-2-9(6-10)13(16)15-7-11-4-5-12(8-15)17-11/h1-3,6,11-12H,4-5,7-8H2.
What are the key properties of (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 343.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66371264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).