1-methylpyrrolo[2,3-b]pyridine;propane

C11H16N2 — CID 144881648

IUPAC1-methylpyrrolo[2,3-b]pyridine;propane
SMILESCCC.Cn1ccc2cccnc21
InChIInChI=1S/C8H8N2.C3H8/c1-10-6-4-7-3-2-5-9-8(7)10;1-3-2/h2-6H,1H3;3H2,1-2H3
InChIKeyWWBHIRNNSQKRAN-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.99
Rot. Bonds

About 1-methylpyrrolo[2,3-b]pyridine;propane

1-methylpyrrolo[2,3-b]pyridine;propane (PubChem CID 144881648) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methylpyrrolo[2,3-b]pyridine;propane.

Molecular Properties

Compound Name1-methylpyrrolo[2,3-b]pyridine;propane
PubChem CID144881648
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methylpyrrolo[2,3-b]pyridine;propane
SMILESCCC.Cn1ccc2cccnc21
InChIInChI=1S/C8H8N2.C3H8/c1-10-6-4-7-3-2-5-9-8(7)10;1-3-2/h2-6H,1H3;3H2,1-2H3
InChIKeyWWBHIRNNSQKRAN-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methylpyrrolo[2,3-b]pyridine
CID 142434166
ethane;1-methylpyrrolo[2,3-b]pyridine;toluene
CID 143220810
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
methyl-tris(pyrrolo[2,3-b]pyridin-1-yl)silane
CID 139110626
1-(3-methoxypropyl)pyrrolo[2,3-b]pyridine
CID 59595069
1-pent-4-enylpyrrolo[2,3-b]pyridine
CID 175838520
1,8-naphthyridine;propane
CID 142433930
trimethyl(2-pyrrolo[2,3-b]pyridin-1-yloxyethyl)silane
CID 153406221
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
N-methyl-1-pyrrolo[2,3-b]pyridin-1-ylpropan-2-amine
CID 117223827

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolo[2,3-b]pyridine;propane?
The IUPAC name of 1-methylpyrrolo[2,3-b]pyridine;propane (CID 144881648) is 1-methylpyrrolo[2,3-b]pyridine;propane.
What is the SMILES notation for 1-methylpyrrolo[2,3-b]pyridine;propane?
The canonical SMILES for 1-methylpyrrolo[2,3-b]pyridine;propane is CCC.Cn1ccc2cccnc21.
What is the InChIKey of 1-methylpyrrolo[2,3-b]pyridine;propane?
The InChIKey is WWBHIRNNSQKRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C3H8/c1-10-6-4-7-3-2-5-9-8(7)10;1-3-2/h2-6H,1H3;3H2,1-2H3.
What are the key properties of 1-methylpyrrolo[2,3-b]pyridine;propane?
1-methylpyrrolo[2,3-b]pyridine;propane has a molecular weight of 176.26 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolo[2,3-b]pyridine;propane is sourced from PubChem (CID 144881648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).