ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen

C10H18N2 — CID 142309213

IUPACethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
SMILESCC.Cc1cc2c([nH]1)=NCCC=2.[H][H]
InChIInChI=1S/C8H10N2.C2H6.H2/c1-6-5-7-3-2-4-9-8(7)10-6;1-2;/h3,5H,2,4H2,1H3,(H,9,10);1-2H3;1H
InChIKeyVNIHXTDHPBUFRV-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.40
Rot. Bonds

About ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen

ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen (PubChem CID 142309213) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
PubChem CID142309213
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
SMILESCC.Cc1cc2c([nH]1)=NCCC=2.[H][H]
InChIInChI=1S/C8H10N2.C2H6.H2/c1-6-5-7-3-2-4-9-8(7)10-6;1-2;/h3,5H,2,4H2,1H3,(H,9,10);1-2H3;1H
InChIKeyVNIHXTDHPBUFRV-UHFFFAOYSA-N
XLogP1.40
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoropropan-2-yl)-2-methyl-6-methylidene-1,5-dihydropyrrolo[2,3-b]pyridin-3-amine
CID 137305119
5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
2-methyl-7,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 70226335
5-Methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
CID 70640497
2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70821918
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The IUPAC name of ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen (CID 142309213) is ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen is CC.Cc1cc2c([nH]1)=NCCC=2.[H][H].
What is the InChIKey of ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The InChIKey is VNIHXTDHPBUFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C2H6.H2/c1-6-5-7-3-2-4-9-8(7)10-6;1-2;/h3,5H,2,4H2,1H3,(H,9,10);1-2H3;1H.
What are the key properties of ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen has a molecular weight of 166.27 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen is sourced from PubChem (CID 142309213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).