but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine

C24H31N — CID 145230942

IUPACbut-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine
SMILESC/C=C(/C)c1ncc(-c2cccc(C)c2)cc1C.C=C(CC)C1CC1
InChIInChI=1S/C17H19N.C7H12/c1-5-13(3)17-14(4)10-16(11-18-17)15-8-6-7-12(2)9-15;1-3-6(2)7-4-5-7/h5-11H,1-4H3;7H,2-5H2,1H3/b13-5-;
InChIKeyNMZULEGWDJWVIP-UCHKSFBOSA-N
MW333.52 g/mol
LogP7.15
Rot. Bonds4

About but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine

but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine (PubChem CID 145230942) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine.

Molecular Properties

Compound Namebut-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine
PubChem CID145230942
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Namebut-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine
SMILESC/C=C(/C)c1ncc(-c2cccc(C)c2)cc1C.C=C(CC)C1CC1
InChIInChI=1S/C17H19N.C7H12/c1-5-13(3)17-14(4)10-16(11-18-17)15-8-6-7-12(2)9-15;1-3-6(2)7-4-5-7/h5-11H,1-4H3;7H,2-5H2,1H3/b13-5-;
InChIKeyNMZULEGWDJWVIP-UCHKSFBOSA-N
XLogP7.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine?
The IUPAC name of but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine (CID 145230942) is but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine.
What is the SMILES notation for but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine?
The canonical SMILES for but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine is C/C=C(/C)c1ncc(-c2cccc(C)c2)cc1C.C=C(CC)C1CC1.
What is the InChIKey of but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine?
The InChIKey is NMZULEGWDJWVIP-UCHKSFBOSA-N. The full InChI is InChI=1S/C17H19N.C7H12/c1-5-13(3)17-14(4)10-16(11-18-17)15-8-6-7-12(2)9-15;1-3-6(2)7-4-5-7/h5-11H,1-4H3;7H,2-5H2,1H3/b13-5-;.
What are the key properties of but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine?
but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine has a molecular weight of 333.52 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine is sourced from PubChem (CID 145230942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).