2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine

C23H23N — CID 143823167

IUPAC2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine
SMILESCC1C=C(CC2C=C(Cc3ccccn3)c3ccccc32)C=CC1
InChIInChI=1S/C23H23N/c1-17-7-6-8-18(13-17)14-19-15-20(16-21-9-4-5-12-24-21)23-11-3-2-10-22(19)23/h2-6,8-13,15,17,19H,7,14,16H2,1H3
InChIKeyFBTUSEKPWLTMGJ-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.72
Rot. Bonds4

About 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine

2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine (PubChem CID 143823167) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine
PubChem CID143823167
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine
SMILESCC1C=C(CC2C=C(Cc3ccccn3)c3ccccc32)C=CC1
InChIInChI=1S/C23H23N/c1-17-7-6-8-18(13-17)14-19-15-20(16-21-9-4-5-12-24-21)23-11-3-2-10-22(19)23/h2-6,8-13,15,17,19H,7,14,16H2,1H3
InChIKeyFBTUSEKPWLTMGJ-UHFFFAOYSA-N
XLogP5.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine with MolForge

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Related Compounds

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carbanide;chromium(2+);trimethyl-[3-(pyridin-2-ylmethyl)-1H-inden-2-yl]silane
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N-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]phenyl]ethanamine
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2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine?
The IUPAC name of 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine (CID 143823167) is 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine is CC1C=C(CC2C=C(Cc3ccccn3)c3ccccc32)C=CC1.
What is the InChIKey of 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine?
The InChIKey is FBTUSEKPWLTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-17-7-6-8-18(13-17)14-19-15-20(16-21-9-4-5-12-24-21)23-11-3-2-10-22(19)23/h2-6,8-13,15,17,19H,7,14,16H2,1H3.
What are the key properties of 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine?
2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine has a molecular weight of 313.44 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]-3H-inden-1-yl]methyl]pyridine is sourced from PubChem (CID 143823167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).