4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine

C18H21N — CID 167258244

IUPAC4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
SMILESC=C1CCc2cc(C3=CCN(C(=C)C)CC3)ccc21
InChIInChI=1S/C18H21N/c1-13(2)19-10-8-15(9-11-19)16-6-7-18-14(3)4-5-17(18)12-16/h6-8,12H,1,3-5,9-11H2,2H3
InChIKeyNKOHCLFNXNGYIT-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.27
Rot. Bonds2

About 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine

4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 167258244) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
PubChem CID167258244
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine
SMILESC=C1CCc2cc(C3=CCN(C(=C)C)CC3)ccc21
InChIInChI=1S/C18H21N/c1-13(2)19-10-8-15(9-11-19)16-6-7-18-14(3)4-5-17(18)12-16/h6-8,12H,1,3-5,9-11H2,2H3
InChIKeyNKOHCLFNXNGYIT-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine (CID 167258244) is 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine is C=C1CCc2cc(C3=CCN(C(=C)C)CC3)ccc21.
What is the InChIKey of 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is NKOHCLFNXNGYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13(2)19-10-8-15(9-11-19)16-6-7-18-14(3)4-5-17(18)12-16/h6-8,12H,1,3-5,9-11H2,2H3.
What are the key properties of 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine?
4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 251.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylidene-2,3-dihydroinden-5-yl)-1-prop-1-en-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 167258244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).