carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium

C20H34N2O — CID 159560448

IUPACcarbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium
SMILESCC.CC.CO.Cc1c2c(cc[n+]1C)c1ccccc1n2C.[CH3-]
InChIInChI=1S/C14H15N2.2C2H6.CH4O.CH3/c1-10-14-12(8-9-15(10)2)11-6-4-5-7-13(11)16(14)3;3*1-2;/h4-9H,1-3H3;2*1-2H3;2H,1H3;1H3/q+1;;;;-1
InChIKeyMGNSWCFQDIAIJY-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.58
Rot. Bonds

About carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium

carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium (PubChem CID 159560448) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium.

Molecular Properties

Compound Namecarbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium
PubChem CID159560448
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Namecarbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium
SMILESCC.CC.CO.Cc1c2c(cc[n+]1C)c1ccccc1n2C.[CH3-]
InChIInChI=1S/C14H15N2.2C2H6.CH4O.CH3/c1-10-14-12(8-9-15(10)2)11-6-4-5-7-13(11)16(14)3;3*1-2;/h4-9H,1-3H3;2*1-2H3;2H,1H3;1H3/q+1;;;;-1
InChIKeyMGNSWCFQDIAIJY-UHFFFAOYSA-N
XLogP4.58
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;1,2,9-trimethylpyrido[3,4-b]indol-2-ium
CID 159069654
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;1,2,9-trimethylcarbazole
CID 160838686
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;9-methylcarbazol-1-amine
CID 142426342
5,11-dimethylbenzo[a]carbazole
CID 58410472
1-ethyl-9-methylcarbazole
CID 21455608
1-fluoro-9-methylcarbazole
CID 139447921
5,6,11-trimethyl-2-oxidopyrido[4,3-b]carbazol-2-ium
CID 5037815
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
ethane;9-hydroxycarbazole
CID 153391260
2,3,4-trimethylpyrrolo[3,4-b]indole
CID 157487086

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium?
The IUPAC name of carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium (CID 159560448) is carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium.
What is the SMILES notation for carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium?
The canonical SMILES for carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium is CC.CC.CO.Cc1c2c(cc[n+]1C)c1ccccc1n2C.[CH3-].
What is the InChIKey of carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium?
The InChIKey is MGNSWCFQDIAIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2.2C2H6.CH4O.CH3/c1-10-14-12(8-9-15(10)2)11-6-4-5-7-13(11)16(14)3;3*1-2;/h4-9H,1-3H3;2*1-2H3;2H,1H3;1H3/q+1;;;;-1.
What are the key properties of carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium?
carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium has a molecular weight of 318.51 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;methanol;1,2,9-trimethylpyrido[3,4-b]indol-2-ium is sourced from PubChem (CID 159560448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).