1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium

C20H20NO+ — CID 147999935

IUPAC1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium
SMILESCc1cc(-c2ccccc2)oc2cc(=[N+]3CCCC3)ccc1-2
InChIInChI=1S/C20H20NO/c1-15-13-19(16-7-3-2-4-8-16)22-20-14-17(9-10-18(15)20)21-11-5-6-12-21/h2-4,7-10,13-14H,5-6,11-12H2,1H3/q+1
InChIKeyIWSXFKNYWHOPEA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.93
Rot. Bonds1

About 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium

1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium (PubChem CID 147999935) has the molecular formula C20H20NO+ and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium
PubChem CID147999935
Molecular FormulaC20H20NO+
Molecular Weight290.39 g/mol
Exact Mass290.15
IUPAC Name1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium
SMILESCc1cc(-c2ccccc2)oc2cc(=[N+]3CCCC3)ccc1-2
InChIInChI=1S/C20H20NO/c1-15-13-19(16-7-3-2-4-8-16)22-20-14-17(9-10-18(15)20)21-11-5-6-12-21/h2-4,7-10,13-14H,5-6,11-12H2,1H3/q+1
InChIKeyIWSXFKNYWHOPEA-UHFFFAOYSA-N
XLogP3.93
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium perchlorate
CID 12278065
6-(4-Dimethylami-nostyryl)-2,4-diphenylpyrylium perchlorate
CID 13710030
Dimethyl-(4-methyl-2-phenylchromen-7-ylidene)azanium
CID 88010727
Diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium
CID 91276437
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003
[4-[(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 145341617
[2-(4-Fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
CID 150327512
Dimethyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]chromen-7-ylidene]azanium
CID 153605526
(6E)-6-[(2E)-2-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]ethylidene]-1-propyl-3,4-dihydro-2H-quinolin-1-ium
CID 154594206
[4-[(E,4E)-4-[4,6-bis(4-fluorophenyl)pyran-2-ylidene]but-2-enylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 154594299
[4-[(2E)-2-[4,6-bis(3-fluorophenyl)pyran-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 154594306
[4-[2-[4,6-Bis(4-fluorophenyl)pyran-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 159525610

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium?
The IUPAC name of 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium (CID 147999935) is 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium.
What is the SMILES notation for 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium?
The canonical SMILES for 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium is Cc1cc(-c2ccccc2)oc2cc(=[N+]3CCCC3)ccc1-2.
What is the InChIKey of 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium?
The InChIKey is IWSXFKNYWHOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO/c1-15-13-19(16-7-3-2-4-8-16)22-20-14-17(9-10-18(15)20)21-11-5-6-12-21/h2-4,7-10,13-14H,5-6,11-12H2,1H3/q+1.
What are the key properties of 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium?
1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium has a molecular weight of 290.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylchromen-7-ylidene)pyrrolidin-1-ium is sourced from PubChem (CID 147999935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).