ethane;methanol;6-methyl-2,3-dihydropyridine

C9H19NO — CID 145001211

IUPACethane;methanol;6-methyl-2,3-dihydropyridine
SMILESCC.CC1=NCCC=C1.CO
InChIInChI=1S/C6H9N.C2H6.CH4O/c1-6-4-2-3-5-7-6;2*1-2/h2,4H,3,5H2,1H3;1-2H3;2H,1H3
InChIKeyDFBCVALHRBMHCJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds

About ethane;methanol;6-methyl-2,3-dihydropyridine

ethane;methanol;6-methyl-2,3-dihydropyridine (PubChem CID 145001211) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;methanol;6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Nameethane;methanol;6-methyl-2,3-dihydropyridine
PubChem CID145001211
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;methanol;6-methyl-2,3-dihydropyridine
SMILESCC.CC1=NCCC=C1.CO
InChIInChI=1S/C6H9N.C2H6.CH4O/c1-6-4-2-3-5-7-6;2*1-2/h2,4H,3,5H2,1H3;1-2H3;2H,1H3
InChIKeyDFBCVALHRBMHCJ-UHFFFAOYSA-N
XLogP2.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-prop-1-en-2-yl-2,3-dihydropyridine
CID 143332140
ethyl N-[2-(2,3-dihydropyridin-6-yl)ethyl]-N-methylcarbamate
CID 178172563
4-(2,3-dihydropyridin-6-yl)butan-2-one
CID 134570591
6-methyl-2,3-dihydroazocine
CID 123702190
5,6-dimethyl-2,3-dihydropyridine;ethane
CID 142828316
2,3-dihydropyridine-6-sulfonyl chloride
CID 91310032
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
bis(2,3-dihydropyridin-6-yl)-(6-methyl-3-pyridinyl)-pyridin-2-ylsilane
CID 91463022
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667
2-methyl-4,5-dihydropyrimidine
CID 68626206
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
2-(2,3-dihydropyridin-6-yl)ethanimine
CID 90964112

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;6-methyl-2,3-dihydropyridine?
The IUPAC name of ethane;methanol;6-methyl-2,3-dihydropyridine (CID 145001211) is ethane;methanol;6-methyl-2,3-dihydropyridine.
What is the SMILES notation for ethane;methanol;6-methyl-2,3-dihydropyridine?
The canonical SMILES for ethane;methanol;6-methyl-2,3-dihydropyridine is CC.CC1=NCCC=C1.CO.
What is the InChIKey of ethane;methanol;6-methyl-2,3-dihydropyridine?
The InChIKey is DFBCVALHRBMHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6.CH4O/c1-6-4-2-3-5-7-6;2*1-2/h2,4H,3,5H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;6-methyl-2,3-dihydropyridine?
ethane;methanol;6-methyl-2,3-dihydropyridine has a molecular weight of 157.26 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 145001211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).