ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine

C13H20N2 — CID 144600616

IUPACethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine
SMILESCC.CCCn1cc(C)c2cnccc21
InChIInChI=1S/C11H14N2.C2H6/c1-3-6-13-8-9(2)10-7-12-5-4-11(10)13;1-2/h4-5,7-8H,3,6H2,1-2H3;1-2H3
InChIKeyBQGUQCLUIVSHRM-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.78
Rot. Bonds2

About ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine

ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine (PubChem CID 144600616) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine
PubChem CID144600616
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine
SMILESCC.CCCn1cc(C)c2cnccc21
InChIInChI=1S/C11H14N2.C2H6/c1-3-6-13-8-9(2)10-7-12-5-4-11(10)13;1-2/h4-5,7-8H,3,6H2,1-2H3;1-2H3
InChIKeyBQGUQCLUIVSHRM-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-propylpyrrolo[3,2-c]pyridine
CID 144600617
1-butylpyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 90178300
1-pentylpyrrolo[3,2-c]pyridine-3-carboxamide
CID 159841368
1,3-dimethylpyrrolo[2,3-c]pyridine
CID 59430828
ethane;3-methyl-1-(oxetan-3-yl)pyrrolo[3,2-c]pyridine
CID 144600618
3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
1-methylpyrrolo[3,2-c]pyridin-3-ol
CID 137437348
3-ethenyl-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine
CID 141395746
1-propyl-3-(pyridin-4-ylmethyl)indol-5-ol
CID 20529131
ethane;5-methyl-1-propylimidazole
CID 143939633
azane;1,3-dimethylpyrazolo[4,5-c]pyridine
CID 175481142
4-methyl-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one
CID 123620269

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine (CID 144600616) is ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine is CC.CCCn1cc(C)c2cnccc21.
What is the InChIKey of ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine?
The InChIKey is BQGUQCLUIVSHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-3-6-13-8-9(2)10-7-12-5-4-11(10)13;1-2/h4-5,7-8H,3,6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine?
ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine has a molecular weight of 204.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-propylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 144600616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).