3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole

C15H17N — CID 144680666

IUPAC3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(C)c2ccc(C)cc12
InChIInChI=1S/C15H17N/c1-5-7-14-12(6-2)13-10-11(3)8-9-15(13)16(14)4/h5-10H,2H2,1,3-4H3/b7-5-
InChIKeyVBCOSJDSOBXIOH-ALCCZGGFSA-N
MW211.31 g/mol
LogP4.16
Rot. Bonds2

About 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole

3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole (PubChem CID 144680666) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Name3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
PubChem CID144680666
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)n(C)c2ccc(C)cc12
InChIInChI=1S/C15H17N/c1-5-7-14-12(6-2)13-10-11(3)8-9-15(13)16(14)4/h5-10H,2H2,1,3-4H3/b7-5-
InChIKeyVBCOSJDSOBXIOH-ALCCZGGFSA-N
XLogP4.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-1,2,5-trimethylindole
CID 89379856
3-ethenyl-1,2,6-trimethylquinolin-4-one
CID 126606942
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
1-(4,6-dipyridin-4-yl-2-pyridinyl)-3-ethenyl-5-methyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144687883
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene
CID 145347583
9-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-3-methylcarbazole
CID 144919572
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-9-methylcarbazole
CID 134240129
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
3-cyclobutyl-1,5-dimethylindole-2-carbaldehyde
CID 83918158
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole?
The IUPAC name of 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole (CID 144680666) is 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole?
The canonical SMILES for 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole is C=Cc1c(/C=C\C)n(C)c2ccc(C)cc12.
What is the InChIKey of 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole?
The InChIKey is VBCOSJDSOBXIOH-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H17N/c1-5-7-14-12(6-2)13-10-11(3)8-9-15(13)16(14)4/h5-10H,2H2,1,3-4H3/b7-5-.
What are the key properties of 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole?
3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole has a molecular weight of 211.31 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,5-dimethyl-2-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 144680666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).