1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine

C22H32N2 — CID 134460369

IUPAC1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)C1=CN(C(C)C(C)C)C(C2=CC(=C(C)C)CN2C)=CC1=C
InChIInChI=1S/C22H32N2/c1-14(2)18(8)24-13-20(16(5)6)17(7)10-22(24)21-11-19(15(3)4)12-23(21)9/h10-11,13-14,18H,5,7,12H2,1-4,6,8-9H3
InChIKeyUUGONINSFPHQJK-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.41
Rot. Bonds4

About 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine

1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine (PubChem CID 134460369) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine
PubChem CID134460369
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine
SMILESC=C(C)C1=CN(C(C)C(C)C)C(C2=CC(=C(C)C)CN2C)=CC1=C
InChIInChI=1S/C22H32N2/c1-14(2)18(8)24-13-20(16(5)6)17(7)10-22(24)21-11-19(15(3)4)12-23(21)9/h10-11,13-14,18H,5,7,12H2,1-4,6,8-9H3
InChIKeyUUGONINSFPHQJK-UHFFFAOYSA-N
XLogP5.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine?
The IUPAC name of 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine (CID 134460369) is 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine is C=C(C)C1=CN(C(C)C(C)C)C(C2=CC(=C(C)C)CN2C)=CC1=C.
What is the InChIKey of 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine?
The InChIKey is UUGONINSFPHQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-14(2)18(8)24-13-20(16(5)6)17(7)10-22(24)21-11-19(15(3)4)12-23(21)9/h10-11,13-14,18H,5,7,12H2,1-4,6,8-9H3.
What are the key properties of 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine?
1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine has a molecular weight of 324.51 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-4-methylidene-2-(1-methyl-3-propan-2-ylidene-2H-pyrrol-5-yl)-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 134460369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).