2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

C20H24N2 — CID 90112464

IUPAC2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESC=CCC1C=CC=CN1c1ccc2c(c1)CN(C)CC21CC1
InChIInChI=1S/C20H24N2/c1-3-6-17-7-4-5-12-22(17)18-8-9-19-16(13-18)14-21(2)15-20(19)10-11-20/h3-5,7-9,12-13,17H,1,6,10-11,14-15H2,2H3
InChIKeyBSELBMAKFGQRTM-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.00
Rot. Bonds3

About 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]

2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (PubChem CID 90112464) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].

Molecular Properties

Compound Name2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
PubChem CID90112464
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
SMILESC=CCC1C=CC=CN1c1ccc2c(c1)CN(C)CC21CC1
InChIInChI=1S/C20H24N2/c1-3-6-17-7-4-5-12-22(17)18-8-9-19-16(13-18)14-21(2)15-20(19)10-11-20/h3-5,7-9,12-13,17H,1,6,10-11,14-15H2,2H3
InChIKeyBSELBMAKFGQRTM-UHFFFAOYSA-N
XLogP4.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The IUPAC name of 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] (CID 90112464) is 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane].
What is the SMILES notation for 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The canonical SMILES for 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is C=CCC1C=CC=CN1c1ccc2c(c1)CN(C)CC21CC1.
What is the InChIKey of 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
The InChIKey is BSELBMAKFGQRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-6-17-7-4-5-12-22(17)18-8-9-19-16(13-18)14-21(2)15-20(19)10-11-20/h3-5,7-9,12-13,17H,1,6,10-11,14-15H2,2H3.
What are the key properties of 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]?
2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] has a molecular weight of 292.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(2-prop-2-enyl-2H-pyridin-1-yl)spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane] is sourced from PubChem (CID 90112464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).