5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole

C18H18N2 — CID 139374482

IUPAC5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole
SMILESC=C(c1c[nH]c2ccc(C)cc12)C(C)c1cccnc1
InChIInChI=1S/C18H18N2/c1-12-6-7-18-16(9-12)17(11-20-18)14(3)13(2)15-5-4-8-19-10-15/h4-11,13,20H,3H2,1-2H3
InChIKeyPWXMQXLPEZVHPE-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.69
Rot. Bonds3

About 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole

5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole (PubChem CID 139374482) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole
PubChem CID139374482
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole
SMILESC=C(c1c[nH]c2ccc(C)cc12)C(C)c1cccnc1
InChIInChI=1S/C18H18N2/c1-12-6-7-18-16(9-12)17(11-20-18)14(3)13(2)15-5-4-8-19-10-15/h4-11,13,20H,3H2,1-2H3
InChIKeyPWXMQXLPEZVHPE-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[(4Z,5Z)-5-(1-fluoropropylidene)-4-propylidene-1H-pyrrol-3-yl]but-3-en-2-yl]pyridine
CID 146429519
5-methyl-3-(pyridin-3-ylmethyl)-1H-indole
CID 18940880
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
3-(3-methylbut-1-en-2-yl)-1H-indole
CID 130016048
N'-hydroxy-5-methyl-1H-indole-3-carboximidamide
CID 135742377
2-(1H-indol-3-yl)-N-methyl-1-(4-methylphenyl)prop-2-en-1-amine
CID 139374699
1-(1H-indol-3-yl)-2-(3-methoxyanilino)-2-pyridin-3-ylethanone
CID 71542830
6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 43661027
3,5-dimethyl-1H-indole
CID 142943492
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555321
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81407385
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole?
The IUPAC name of 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole (CID 139374482) is 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole?
The canonical SMILES for 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole is C=C(c1c[nH]c2ccc(C)cc12)C(C)c1cccnc1.
What is the InChIKey of 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole?
The InChIKey is PWXMQXLPEZVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-12-6-7-18-16(9-12)17(11-20-18)14(3)13(2)15-5-4-8-19-10-15/h4-11,13,20H,3H2,1-2H3.
What are the key properties of 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole?
5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole has a molecular weight of 262.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-pyridin-3-ylbut-1-en-2-yl)-1H-indole is sourced from PubChem (CID 139374482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).