1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole

C19H19N — CID 71485412

IUPAC1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole
SMILESC/C(=C\c1c(C)n(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N/c1-14(16-9-5-4-6-10-16)13-18-15(2)20(3)19-12-8-7-11-17(18)19/h4-13H,1-3H3/b14-13+
InChIKeyQHBRYYWNBIYHHK-BUHFOSPRSA-N
MW261.37 g/mol
LogP5.05
Rot. Bonds2

About 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole

1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole (PubChem CID 71485412) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole.

Molecular Properties

Compound Name1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole
PubChem CID71485412
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole
SMILESC/C(=C\c1c(C)n(C)c2ccccc12)c1ccccc1
InChIInChI=1S/C19H19N/c1-14(16-9-5-4-6-10-16)13-18-15(2)20(3)19-12-8-7-11-17(18)19/h4-13H,1-3H3/b14-13+
InChIKeyQHBRYYWNBIYHHK-BUHFOSPRSA-N
XLogP5.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E)-1-(1,2-dimethylindol-3-yl)buta-1,3-dien-2-amine
CID 163942685
ethane;1,2,3-trimethylindole
CID 91590745
1-methyl-2-(1-phenylethenyl)indole-3-carbaldehyde
CID 134938903
(E)-2-methyl-3-(1-methyl-2-phenylindol-3-yl)prop-2-enoic acid
CID 170873291
3-iodo-1,2-dimethylindole
CID 19093282
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
1-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-3-prop-2-enylthiourea
CID 110508330
2-methyl-1-(3-methylphenyl)-3-(2-methylprop-1-enyl)indole
CID 146532616
1-phenyl-2-(2-phenylprop-1-enyl)benzimidazole
CID 67620863
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
N'-amino-1,2-dimethylindole-3-carboximidamide
CID 83532039
(E)-2-cyano-3-(1,2-dimethylindol-3-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 1355463

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole?
The IUPAC name of 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole (CID 71485412) is 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole.
What is the SMILES notation for 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole?
The canonical SMILES for 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole is C/C(=C\c1c(C)n(C)c2ccccc12)c1ccccc1.
What is the InChIKey of 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole?
The InChIKey is QHBRYYWNBIYHHK-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H19N/c1-14(16-9-5-4-6-10-16)13-18-15(2)20(3)19-12-8-7-11-17(18)19/h4-13H,1-3H3/b14-13+.
What are the key properties of 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole?
1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole has a molecular weight of 261.37 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(E)-2-phenylprop-1-enyl]indole is sourced from PubChem (CID 71485412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).