2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene

C15H19N — CID 143016704

IUPAC2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Cc1[nH]c2ccccc2c1C
InChIInChI=1S/C10H11N.C5H8/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-5-4-2/h3-6,11H,1-2H3;3-5H,1H2,2H3/b;5-4-
InChIKeyQDUBFAFSXIDSIX-GUHKXDMSSA-N
MW213.32 g/mol
LogP4.53
Rot. Bonds1

About 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene

2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene (PubChem CID 143016704) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
PubChem CID143016704
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Cc1[nH]c2ccccc2c1C
InChIInChI=1S/C10H11N.C5H8/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-5-4-2/h3-6,11H,1-2H3;3-5H,1H2,2H3/b;5-4-
InChIKeyQDUBFAFSXIDSIX-GUHKXDMSSA-N
XLogP4.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
butane;2,3-dimethyl-1H-indole
CID 143059445
2,3-dimethyl-1H-indole;ethane;1H-pyrrole
CID 159131567
ethane;prop-1-ene;2,3,5-trimethyl-1H-indole
CID 143420454
3-[5-[(1Z)-buta-1,3-dienyl]-1H-imidazol-2-yl]-2-methyl-1H-indole
CID 143131561
penta-1,3-diene;styrene
CID 161284559
9H-carbazole;copper
CID 159878189
(3E)-penta-1,3-diene
CID 71777643
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
(E)-but-2-ene;N,4-dimethylcyclohexa-1,5-dien-1-amine;2,3-dimethyl-1H-indole;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
CID 160517858
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene?
The IUPAC name of 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene (CID 143016704) is 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene.
What is the SMILES notation for 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene?
The canonical SMILES for 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene is C=C/C=C\C.Cc1[nH]c2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene?
The InChIKey is QDUBFAFSXIDSIX-GUHKXDMSSA-N. The full InChI is InChI=1S/C10H11N.C5H8/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-3-5-4-2/h3-6,11H,1-2H3;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene?
2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene has a molecular weight of 213.32 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143016704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).