3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine

C16H15NO — CID 86600090

IUPAC3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine
SMILESC(\CCc1cccnc1)=C1\OCc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-8-15-14(7-1)12-18-16(15)9-3-5-13-6-4-10-17-11-13/h1-2,4,6-11H,3,5,12H2/b16-9-
InChIKeyMNLXIDBCWUWGQG-SXGWCWSVSA-N
MW237.30 g/mol
LogP3.59
Rot. Bonds3

About 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine

3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine (PubChem CID 86600090) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine.

Molecular Properties

Compound Name3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine
PubChem CID86600090
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine
SMILESC(\CCc1cccnc1)=C1\OCc2ccccc21
InChIInChI=1S/C16H15NO/c1-2-8-15-14(7-1)12-18-16(15)9-3-5-13-6-4-10-17-11-13/h1-2,4,6-11H,3,5,12H2/b16-9-
InChIKeyMNLXIDBCWUWGQG-SXGWCWSVSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Doxylamine
CID 3162
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
(3-Pyridylmethylene)indane 26a
CID 6539776
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
4-Pyridinecarboxaldehyde, O-(phenylmethyl)oxime
CID 96307
2-(Benzyloxy)pyridine
CID 295859
(4-Pyridylmethylene)indane 12a
CID 6539796
4-{[(1Z)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539797
4-{[(1E)-6-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539800

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine?
The IUPAC name of 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine (CID 86600090) is 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine.
What is the SMILES notation for 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine?
The canonical SMILES for 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine is C(\CCc1cccnc1)=C1\OCc2ccccc21.
What is the InChIKey of 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine?
The InChIKey is MNLXIDBCWUWGQG-SXGWCWSVSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-8-15-14(7-1)12-18-16(15)9-3-5-13-6-4-10-17-11-13/h1-2,4,6-11H,3,5,12H2/b16-9-.
What are the key properties of 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine?
3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine has a molecular weight of 237.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-3-(3H-2-benzofuran-1-ylidene)propyl]pyridine is sourced from PubChem (CID 86600090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).