ethane;prop-1-ene;2,3,5-trimethyl-1H-indole

C16H25N — CID 143420454

IUPACethane;prop-1-ene;2,3,5-trimethyl-1H-indole
SMILESC=CC.CC.Cc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C11H13N.C3H6.C2H6/c1-7-4-5-11-10(6-7)8(2)9(3)12-11;1-3-2;1-2/h4-6,12H,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyPXXQQDMWUSYOEX-UHFFFAOYSA-N
MW231.38 g/mol
LogP5.31
Rot. Bonds

About ethane;prop-1-ene;2,3,5-trimethyl-1H-indole

ethane;prop-1-ene;2,3,5-trimethyl-1H-indole (PubChem CID 143420454) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;prop-1-ene;2,3,5-trimethyl-1H-indole.

Molecular Properties

Compound Nameethane;prop-1-ene;2,3,5-trimethyl-1H-indole
PubChem CID143420454
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethane;prop-1-ene;2,3,5-trimethyl-1H-indole
SMILESC=CC.CC.Cc1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C11H13N.C3H6.C2H6/c1-7-4-5-11-10(6-7)8(2)9(3)12-11;1-3-2;1-2/h4-6,12H,1-3H3;3H,1H2,2H3;1-2H3
InChIKeyPXXQQDMWUSYOEX-UHFFFAOYSA-N
XLogP5.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
3,6-dimethyl-9H-carbazole
CID 144942624
2-ethyl-3,5-dimethyl-1H-indole
CID 1209049
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
CID 143016704
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
1,2-bis(ethenyl)-4-methylbenzene;ethane;prop-1-ene
CID 143109354
2,7-dimethyl-10H-acridin-9-one
CID 13293445
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
2-(2,3-dimethyl-1H-indol-5-yl)ethanethiol
CID 116996346
1,2-bis(ethenyl)-4-methylbenzene;ethane;methane;prop-1-ene
CID 143109411
3,4,6-trimethyl-9H-carbazole
CID 610656

Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;2,3,5-trimethyl-1H-indole?
The IUPAC name of ethane;prop-1-ene;2,3,5-trimethyl-1H-indole (CID 143420454) is ethane;prop-1-ene;2,3,5-trimethyl-1H-indole.
What is the SMILES notation for ethane;prop-1-ene;2,3,5-trimethyl-1H-indole?
The canonical SMILES for ethane;prop-1-ene;2,3,5-trimethyl-1H-indole is C=CC.CC.Cc1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of ethane;prop-1-ene;2,3,5-trimethyl-1H-indole?
The InChIKey is PXXQQDMWUSYOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C3H6.C2H6/c1-7-4-5-11-10(6-7)8(2)9(3)12-11;1-3-2;1-2/h4-6,12H,1-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;prop-1-ene;2,3,5-trimethyl-1H-indole?
ethane;prop-1-ene;2,3,5-trimethyl-1H-indole has a molecular weight of 231.38 g/mol, XLogP of 5.31, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;2,3,5-trimethyl-1H-indole is sourced from PubChem (CID 143420454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).