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

C13H14INO2 — CID 66371651

IUPAC(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccccc1I)N1CC2CCC(C1)O2
InChIInChI=1S/C13H14INO2/c14-12-4-2-1-3-11(12)13(16)15-7-9-5-6-10(8-15)17-9/h1-4,9-10H,5-8H2
InChIKeyRNOWQINTTZINRQ-UHFFFAOYSA-N
MW343.16 g/mol
LogP2.29
Rot. Bonds1

About (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66371651) has the molecular formula C13H14INO2 and a molecular weight of 343.16 g/mol. Its IUPAC name is (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66371651
Molecular FormulaC13H14INO2
Molecular Weight343.16 g/mol
Exact Mass343.01
IUPAC Name(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1ccccc1I)N1CC2CCC(C1)O2
InChIInChI=1S/C13H14INO2/c14-12-4-2-1-3-11(12)13(16)15-7-9-5-6-10(8-15)17-9/h1-4,9-10H,5-8H2
InChIKeyRNOWQINTTZINRQ-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'}

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Related Compounds

(2-cyclopropyloxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 136542777
[2-(2-aminoethyl)phenyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371214
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
2-[1-(2-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64603312
(3-bromo-2-methylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371650
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
(3-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371264
(3,4-diaminopiperidin-1-yl)-(2-iodophenyl)methanone
CID 22008221
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
CID 10881534
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(2-iodophenyl)methanone
CID 102680344

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66371651) is (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1ccccc1I)N1CC2CCC(C1)O2.
What is the InChIKey of (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is RNOWQINTTZINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO2/c14-12-4-2-1-3-11(12)13(16)15-7-9-5-6-10(8-15)17-9/h1-4,9-10H,5-8H2.
What are the key properties of (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(2-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 (2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66371651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).