(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine

C21H17NO2 — CID 6448038

IUPAC(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine
SMILESCOc1ccc(/C=C2\c3ccccc3-c3cccnc32)cc1OC
InChIInChI=1S/C21H17NO2/c1-23-19-10-9-14(13-20(19)24-2)12-18-16-7-4-3-6-15(16)17-8-5-11-22-21(17)18/h3-13H,1-2H3/b18-12+
InChIKeyCZJOHSIFSRIVIQ-LDADJPATSA-N
MW315.37 g/mol
LogP4.67
Rot. Bonds3

About (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine

(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine (PubChem CID 6448038) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine.

Molecular Properties

Compound Name(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine
PubChem CID6448038
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine
SMILESCOc1ccc(/C=C2\c3ccccc3-c3cccnc32)cc1OC
InChIInChI=1S/C21H17NO2/c1-23-19-10-9-14(13-20(19)24-2)12-18-16-7-4-3-6-15(16)17-8-5-11-22-21(17)18/h3-13H,1-2H3/b18-12+
InChIKeyCZJOHSIFSRIVIQ-LDADJPATSA-N
XLogP4.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4680
Papaverine Hydrochloride
CID 6084
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CID 3280
Ethaverine Hydrochloride
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15,16-Dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17,19-octaene
CID 5287653
CT 1730; GR 259653X
CID 89809670
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
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(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
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CID 6539772

Frequently Asked Questions

What is the IUPAC name of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine?
The IUPAC name of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine (CID 6448038) is (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine.
What is the SMILES notation for (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine?
The canonical SMILES for (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine is COc1ccc(/C=C2\c3ccccc3-c3cccnc32)cc1OC.
What is the InChIKey of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine?
The InChIKey is CZJOHSIFSRIVIQ-LDADJPATSA-N. The full InChI is InChI=1S/C21H17NO2/c1-23-19-10-9-14(13-20(19)24-2)12-18-16-7-4-3-6-15(16)17-8-5-11-22-21(17)18/h3-13H,1-2H3/b18-12+.
What are the key properties of (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine?
(9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine has a molecular weight of 315.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(3,4-dimethoxyphenyl)methylidene]indeno[2,1-b]pyridine is sourced from PubChem (CID 6448038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).