3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol

C10H17NO — CID 173120427

IUPAC3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)C1C=CC=CN1
InChIInChI=1S/C10H17NO/c1-8(12)10(2,3)9-6-4-5-7-11-9/h4-9,11-12H,1-3H3
InChIKeyQQVGKGVNAXQSOA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.44
Rot. Bonds2

About 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol

3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol (PubChem CID 173120427) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol
PubChem CID173120427
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(C)C1C=CC=CN1
InChIInChI=1S/C10H17NO/c1-8(12)10(2,3)9-6-4-5-7-11-9/h4-9,11-12H,1-3H3
InChIKeyQQVGKGVNAXQSOA-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol (CID 173120427) is 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol is CC(O)C(C)(C)C1C=CC=CN1.
What is the InChIKey of 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol?
The InChIKey is QQVGKGVNAXQSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)10(2,3)9-6-4-5-7-11-9/h4-9,11-12H,1-3H3.
What are the key properties of 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol?
3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydropyridin-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 173120427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).