ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol

C12H23NO — CID 155709660

IUPACethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC.CCC1=CC(C(C)(C)O)NC=C1
InChIInChI=1S/C10H17NO.C2H6/c1-4-8-5-6-11-9(7-8)10(2,3)12;1-2/h5-7,9,11-12H,4H2,1-3H3;1-2H3
InChIKeyVSVHWUHWUILLAL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.61
Rot. Bonds2

About ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol

ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol (PubChem CID 155709660) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
PubChem CID155709660
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nameethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC.CCC1=CC(C(C)(C)O)NC=C1
InChIInChI=1S/C10H17NO.C2H6/c1-4-8-5-6-11-9(7-8)10(2,3)12;1-2/h5-7,9,11-12H,4H2,1-3H3;1-2H3
InChIKeyVSVHWUHWUILLAL-UHFFFAOYSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Fluoro-3-methyl-1,2-dihydropyridin-2-yl)ethenol
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1,8a-Dihydroquinolin-8-ol
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5-ethyl-3a,7a-dihydro-1H-indol-7-ol
CID 68345622
2-Ethyl-1,2-dihydropyridin-3-ol
CID 70065292
2-(6-Methyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 90247451
4-(1,2-Dihydropyridin-2-yl)heptan-4-ol
CID 90321130
1-(2-ethenyl-1H-pyridin-2-yl)ethanol
CID 118481955
5-methyl-3a,7a-dihydro-1H-indol-7-ol
CID 143778533
5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
CID 143778580
2-(6-Bromo-1,2-dihydropyridin-2-yl)propan-2-ol
CID 143930436
(4E)-4-ethenyl-2-methyl-3-(propan-2-ylamino)hepta-4,6-dien-2-ol
CID 145636556
2-(1,2-Dihydropyridin-2-yl)propan-2-ol
CID 148824024

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The IUPAC name of ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol (CID 155709660) is ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The canonical SMILES for ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol is CC.CCC1=CC(C(C)(C)O)NC=C1.
What is the InChIKey of ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The InChIKey is VSVHWUHWUILLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-4-8-5-6-11-9(7-8)10(2,3)12;1-2/h5-7,9,11-12H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol is sourced from PubChem (CID 155709660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).