(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol

C7H13NO — CID 89116485

IUPAC(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol
SMILESCN1C=CCCC1CO
InChIInChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h3,5,7,9H,2,4,6H2,1H3
InChIKeyPXLAXNNLCBJUAA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.59
Rot. Bonds1

About (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol

(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol (PubChem CID 89116485) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol.

Molecular Properties

Compound Name(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol
PubChem CID89116485
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol
SMILESCN1C=CCCC1CO
InChIInChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h3,5,7,9H,2,4,6H2,1H3
InChIKeyPXLAXNNLCBJUAA-UHFFFAOYSA-N
XLogP0.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol?
The IUPAC name of (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol (CID 89116485) is (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol.
What is the SMILES notation for (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol?
The canonical SMILES for (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol is CN1C=CCCC1CO.
What is the InChIKey of (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol?
The InChIKey is PXLAXNNLCBJUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-2-4-7(8)6-9/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol?
(1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydro-2H-pyridin-2-yl)methanol is sourced from PubChem (CID 89116485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).