(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol

C7H13NO2 — CID 20756950

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol
SMILESCN1CC=C(OCO)CC1
InChIInChI=1S/C7H13NO2/c1-8-4-2-7(3-5-8)10-6-9/h2,9H,3-6H2,1H3
InChIKeyDHWLNFNFLSGRBS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.17
Rot. Bonds2

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol (PubChem CID 20756950) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol
PubChem CID20756950
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol
SMILESCN1CC=C(OCO)CC1
InChIInChI=1S/C7H13NO2/c1-8-4-2-7(3-5-8)10-6-9/h2,9H,3-6H2,1H3
InChIKeyDHWLNFNFLSGRBS-UHFFFAOYSA-N
XLogP0.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol (CID 20756950) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol is CN1CC=C(OCO)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol?
The InChIKey is DHWLNFNFLSGRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-4-2-7(3-5-8)10-6-9/h2,9H,3-6H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol has a molecular weight of 143.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)oxymethanol is sourced from PubChem (CID 20756950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).