3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride

C18H20ClNO2 — CID 11151281

IUPAC3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride
SMILESCOc1cc2c(cc1OC)/C(=C/c1cccnc1)CCC2.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-20-17-10-15-7-3-6-14(16(15)11-18(17)21-2)9-13-5-4-8-19-12-13;/h4-5,8-12H,3,6-7H2,1-2H3;1H/b14-9+;
InChIKeySFYGAAOQUDTFED-KYIGKLDSSA-N
MW317.82 g/mol
LogP4.40
Rot. Bonds3

About 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride

3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride (PubChem CID 11151281) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride
PubChem CID11151281
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride
SMILESCOc1cc2c(cc1OC)/C(=C/c1cccnc1)CCC2.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-20-17-10-15-7-3-6-14(16(15)11-18(17)21-2)9-13-5-4-8-19-12-13;/h4-5,8-12H,3,6-7H2,1-2H3;1H/b14-9+;
InChIKeySFYGAAOQUDTFED-KYIGKLDSSA-N
XLogP4.40
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride?
The IUPAC name of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride (CID 11151281) is 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride?
The canonical SMILES for 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride is COc1cc2c(cc1OC)/C(=C/c1cccnc1)CCC2.Cl.
What is the InChIKey of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride?
The InChIKey is SFYGAAOQUDTFED-KYIGKLDSSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-20-17-10-15-7-3-6-14(16(15)11-18(17)21-2)9-13-5-4-8-19-12-13;/h4-5,8-12H,3,6-7H2,1-2H3;1H/b14-9+;.
What are the key properties of 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride?
3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride is sourced from PubChem (CID 11151281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).