1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole

C19H19N — CID 143072506

IUPAC1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole
SMILESC/C=C/C1=CCC=C(c2ccc3c(ccn3C)c2)C=C1
InChIInChI=1S/C19H19N/c1-3-5-15-6-4-7-16(9-8-15)17-10-11-19-18(14-17)12-13-20(19)2/h3,5-14H,4H2,1-2H3/b5-3+
InChIKeyAWEYDYMQRTZVRE-HWKANZROSA-N
MW261.37 g/mol
LogP5.02
Rot. Bonds2

About 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole

1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole (PubChem CID 143072506) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole.

Molecular Properties

Compound Name1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole
PubChem CID143072506
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole
SMILESC/C=C/C1=CCC=C(c2ccc3c(ccn3C)c2)C=C1
InChIInChI=1S/C19H19N/c1-3-5-15-6-4-7-16(9-8-15)17-10-11-19-18(14-17)12-13-20(19)2/h3,5-14H,4H2,1-2H3/b5-3+
InChIKeyAWEYDYMQRTZVRE-HWKANZROSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole?
The IUPAC name of 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole (CID 143072506) is 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole.
What is the SMILES notation for 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole?
The canonical SMILES for 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole is C/C=C/C1=CCC=C(c2ccc3c(ccn3C)c2)C=C1.
What is the InChIKey of 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole?
The InChIKey is AWEYDYMQRTZVRE-HWKANZROSA-N. The full InChI is InChI=1S/C19H19N/c1-3-5-15-6-4-7-16(9-8-15)17-10-11-19-18(14-17)12-13-20(19)2/h3,5-14H,4H2,1-2H3/b5-3+.
What are the key properties of 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole?
1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole has a molecular weight of 261.37 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-yl]indole is sourced from PubChem (CID 143072506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).