1-(cyclopropylmethyl)-2-ethenyl-7-methylindole

C15H17N — CID 138503156

IUPAC1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
SMILESC=Cc1cc2cccc(C)c2n1CC1CC1
InChIInChI=1S/C15H17N/c1-3-14-9-13-6-4-5-11(2)15(13)16(14)10-12-7-8-12/h3-6,9,12H,1,7-8,10H2,2H3
InChIKeyLWHXEJSAMGTUPD-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.00
Rot. Bonds3

About 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole

1-(cyclopropylmethyl)-2-ethenyl-7-methylindole (PubChem CID 138503156) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
PubChem CID138503156
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
SMILESC=Cc1cc2cccc(C)c2n1CC1CC1
InChIInChI=1S/C15H17N/c1-3-14-9-13-6-4-5-11(2)15(13)16(14)10-12-7-8-12/h3-6,9,12H,1,7-8,10H2,2H3
InChIKeyLWHXEJSAMGTUPD-UHFFFAOYSA-N
XLogP4.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
3-tert-butyl-1-(cyclopropylmethyl)-8-methylquinazoline-2,4-dione
CID 141462480
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-5-ethenyl-1,6-dimethylbenzimidazole;ethane
CID 170604107
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
2-[1-(cyclopropylmethyl)-7-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 115552054
N-[1-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]ethyl]-3,5-bis(ethenyl)-2-methylaniline
CID 146365032
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
2-(2-chloroethyl)-7-methyl-1-[(4-methylcyclohexyl)methyl]benzimidazole
CID 115553467
1-(cyclopropylmethyl)-7-[2-(4-fluoroimidazol-1-yl)propoxy]indole-2-carbaldehyde
CID 170338299
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole?
The IUPAC name of 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole (CID 138503156) is 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole is C=Cc1cc2cccc(C)c2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole?
The InChIKey is LWHXEJSAMGTUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-3-14-9-13-6-4-5-11(2)15(13)16(14)10-12-7-8-12/h3-6,9,12H,1,7-8,10H2,2H3.
What are the key properties of 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole?
1-(cyclopropylmethyl)-2-ethenyl-7-methylindole has a molecular weight of 211.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-ethenyl-7-methylindole is sourced from PubChem (CID 138503156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).