(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole

C14H13IN2O — CID 141023705

IUPAC(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole
SMILESCOc1cc[nH]c1/C=C1\CNc2cccc(I)c21
InChIInChI=1S/C14H13IN2O/c1-18-13-5-6-16-12(13)7-9-8-17-11-4-2-3-10(15)14(9)11/h2-7,16-17H,8H2,1H3/b9-7+
InChIKeyIYHVBTOHWFRAFA-VQHVLOKHSA-N
MW352.18 g/mol
LogP3.59
Rot. Bonds2

About (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole

(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole (PubChem CID 141023705) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole.

Molecular Properties

Compound Name(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole
PubChem CID141023705
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole
SMILESCOc1cc[nH]c1/C=C1\CNc2cccc(I)c21
InChIInChI=1S/C14H13IN2O/c1-18-13-5-6-16-12(13)7-9-8-17-11-4-2-3-10(15)14(9)11/h2-7,16-17H,8H2,1H3/b9-7+
InChIKeyIYHVBTOHWFRAFA-VQHVLOKHSA-N
XLogP3.59
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-1,2-dihydroindole
CID 141023689
3-ethylidene-4-methoxy-1,2-dihydroindole
CID 131845895
3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-4-(2-pyridin-4-ylethynyl)-1H-indol-2-one
CID 54317034
4-[2-(3,4-dimethoxyphenyl)ethenyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 54534199
(3Z)-4-[[4-[3-(dimethylamino)propoxy]phenyl]-hydroxymethyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 70857731
8-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-3,6-dihydropyrrolo[3,2-e]benzimidazol-7-one
CID 54185167
ethane;(3Z)-4-[3-(2-hydroxyethoxy)prop-1-enyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 160872635
3-[(3Z)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-4-yl]prop-2-ynyl carbamate
CID 59959884
(3E)-3-ethylidene-1,2-dihydroindol-4-ol
CID 131423207
5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
CID 142651458
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
(4E)-4-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-6H-thieno[2,3-b]pyrrol-5-one
CID 18626975

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole?
The IUPAC name of (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole (CID 141023705) is (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole.
What is the SMILES notation for (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole?
The canonical SMILES for (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole is COc1cc[nH]c1/C=C1\CNc2cccc(I)c21.
What is the InChIKey of (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole?
The InChIKey is IYHVBTOHWFRAFA-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-18-13-5-6-16-12(13)7-9-8-17-11-4-2-3-10(15)14(9)11/h2-7,16-17H,8H2,1H3/b9-7+.
What are the key properties of (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole?
(3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole has a molecular weight of 352.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-iodo-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1,2-dihydroindole is sourced from PubChem (CID 141023705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).