2,3-dimethyl-1H-indole;ethane;1H-pyrrole

C22H40N2 — CID 159131567

IUPAC2,3-dimethyl-1H-indole;ethane;1H-pyrrole
SMILESCC.CC.CC.CC.Cc1[nH]c2ccccc2c1C.c1cc[nH]c1
InChIInChI=1S/C10H11N.C4H5N.4C2H6/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-2-4-5-3-1;4*1-2/h3-6,11H,1-2H3;1-5H;4*1-2H3
InChIKeyKGYQKNPQQVINAI-UHFFFAOYSA-N
MW332.58 g/mol
LogP7.90
Rot. Bonds

About 2,3-dimethyl-1H-indole;ethane;1H-pyrrole

2,3-dimethyl-1H-indole;ethane;1H-pyrrole (PubChem CID 159131567) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole;ethane;1H-pyrrole.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole;ethane;1H-pyrrole
PubChem CID159131567
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name2,3-dimethyl-1H-indole;ethane;1H-pyrrole
SMILESCC.CC.CC.CC.Cc1[nH]c2ccccc2c1C.c1cc[nH]c1
InChIInChI=1S/C10H11N.C4H5N.4C2H6/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-2-4-5-3-1;4*1-2/h3-6,11H,1-2H3;1-5H;4*1-2H3
InChIKeyKGYQKNPQQVINAI-UHFFFAOYSA-N
XLogP7.90
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;2,3-dimethyl-1H-indole
CID 143059445
2,3-dimethyl-1H-indole;molecular hydrogen
CID 142083168
2,3-dimethyl-1H-indole;(3Z)-penta-1,3-diene
CID 143016704
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-methyl-1-(3-methyl-1H-indol-2-yl)propan-2-ol
CID 141350566
bis(9H-carbazole);propane
CID 90987002
2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
CID 112708805
N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indole;ethane;1H-pyrrole?
The IUPAC name of 2,3-dimethyl-1H-indole;ethane;1H-pyrrole (CID 159131567) is 2,3-dimethyl-1H-indole;ethane;1H-pyrrole.
What is the SMILES notation for 2,3-dimethyl-1H-indole;ethane;1H-pyrrole?
The canonical SMILES for 2,3-dimethyl-1H-indole;ethane;1H-pyrrole is CC.CC.CC.CC.Cc1[nH]c2ccccc2c1C.c1cc[nH]c1.
What is the InChIKey of 2,3-dimethyl-1H-indole;ethane;1H-pyrrole?
The InChIKey is KGYQKNPQQVINAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C4H5N.4C2H6/c1-7-8(2)11-10-6-4-3-5-9(7)10;1-2-4-5-3-1;4*1-2/h3-6,11H,1-2H3;1-5H;4*1-2H3.
What are the key properties of 2,3-dimethyl-1H-indole;ethane;1H-pyrrole?
2,3-dimethyl-1H-indole;ethane;1H-pyrrole has a molecular weight of 332.58 g/mol, XLogP of 7.90, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole;ethane;1H-pyrrole is sourced from PubChem (CID 159131567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).