furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone

C11H10INO2 — CID 19914090

IUPACfuran-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone
SMILESO=C(c1ccco1)c1cccn1CCI
InChIInChI=1S/C11H10INO2/c12-5-7-13-6-1-3-9(13)11(14)10-4-2-8-15-10/h1-4,6,8H,5,7H2
InChIKeyMSCQDCYFHLMNKS-UHFFFAOYSA-N
MW315.11 g/mol
LogP2.75
Rot. Bonds4

About furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone

furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone (PubChem CID 19914090) has the molecular formula C11H10INO2 and a molecular weight of 315.11 g/mol. Its IUPAC name is furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone
PubChem CID19914090
Molecular FormulaC11H10INO2
Molecular Weight315.11 g/mol
Exact Mass314.98
IUPAC Namefuran-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone
SMILESO=C(c1ccco1)c1cccn1CCI
InChIInChI=1S/C11H10INO2/c12-5-7-13-6-1-3-9(13)11(14)10-4-2-8-15-10/h1-4,6,8H,5,7H2
InChIKeyMSCQDCYFHLMNKS-UHFFFAOYSA-N
XLogP2.75
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[2-(furan-2-carbonyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 19914075
furan-2-yl-(1-methylpyrrol-3-yl)methanone
CID 82280498
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943
furan-2-yl(2H-tetrazol-5-yl)methanone
CID 139864601
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
methyl 5-(furan-2-carbonyl)indolizine-7-carboxylate
CID 165114034
3-(furan-2-carbonyl)indolizine-1-carbonitrile
CID 102429783
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
1-[2-(furan-2-yl)-2-oxoethyl]-3-nitropyridin-2-one
CID 62101804
1-[1-(4-phenylbutyl)pyrrol-2-yl]ethanone
CID 114334265
1-(2-phenylmethoxyethyl)pyrrole-2-carboxylic acid
CID 137425559
zinc furan-2-carboxylic acid
CID 25022579

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone?
The IUPAC name of furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone (CID 19914090) is furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone?
The canonical SMILES for furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone is O=C(c1ccco1)c1cccn1CCI.
What is the InChIKey of furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone?
The InChIKey is MSCQDCYFHLMNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO2/c12-5-7-13-6-1-3-9(13)11(14)10-4-2-8-15-10/h1-4,6,8H,5,7H2.
What are the key properties of furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone?
furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone has a molecular weight of 315.11 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-(2-iodoethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 19914090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).