ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine

C10H14N2 — CID 153359253

IUPACethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine
SMILESCC.CC1=CN=C2N=CC=CC12
InChIInChI=1S/C8H8N2.C2H6/c1-6-5-10-8-7(6)3-2-4-9-8;1-2/h2-5,7H,1H3;1-2H3
InChIKeyPRBNOWVGIDAXGU-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.59
Rot. Bonds

About ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine

ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 153359253) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine
PubChem CID153359253
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Nameethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine
SMILESCC.CC1=CN=C2N=CC=CC12
InChIInChI=1S/C8H8N2.C2H6/c1-6-5-10-8-7(6)3-2-4-9-8;1-2/h2-5,7H,1H3;1-2H3
InChIKeyPRBNOWVGIDAXGU-UHFFFAOYSA-N
XLogP2.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
CID 134242605
5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine
CID 138532994
3-Methyl-4-methylidenepyrrolo[2,3-b]pyridine
CID 140956214
3-propan-2-yl-2H-pyrrolo[2,3-b]pyridine
CID 142387758
3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 142505490
5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine
CID 143716589
3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
CID 146517779
4H-pyrrolo[2,3-b]pyridine
CID 152749055
3-methyl-3aH-pyrrolo[2,3-b]pyridine
CID 153359244
4-Methyl-2,4a-dihydro-1,8-naphthyridine
CID 153359267
3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 155280674
N-[(E)-2,3-dimethylbut-1-enyl]-3-methylidenepyridin-2-imine
CID 155309103

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine (CID 153359253) is ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine is CC.CC1=CN=C2N=CC=CC12.
What is the InChIKey of ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is PRBNOWVGIDAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6/c1-6-5-10-8-7(6)3-2-4-9-8;1-2/h2-5,7H,1H3;1-2H3.
What are the key properties of ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine?
ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 153359253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).