(3-but-3-enoxy-4-pyridinyl)methanol

C10H13NO2 — CID 105067106

IUPAC(3-but-3-enoxy-4-pyridinyl)methanol
SMILESC=CCCOc1cnccc1CO
InChIInChI=1S/C10H13NO2/c1-2-3-6-13-10-7-11-5-4-9(10)8-12/h2,4-5,7,12H,1,3,6,8H2
InChIKeyDVDGCJXKGUXENB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.53
Rot. Bonds5

About (3-but-3-enoxy-4-pyridinyl)methanol

(3-but-3-enoxy-4-pyridinyl)methanol (PubChem CID 105067106) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3-but-3-enoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3-but-3-enoxy-4-pyridinyl)methanol
PubChem CID105067106
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3-but-3-enoxy-4-pyridinyl)methanol
SMILESC=CCCOc1cnccc1CO
InChIInChI=1S/C10H13NO2/c1-2-3-6-13-10-7-11-5-4-9(10)8-12/h2,4-5,7,12H,1,3,6,8H2
InChIKeyDVDGCJXKGUXENB-UHFFFAOYSA-N
XLogP1.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216
[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127
[3-(4,4,4-trifluorobutoxy)-4-pyridinyl]methanol
CID 105067211
1-(4-but-3-enoxy-3-pyridinyl)-N-methylmethanamine
CID 81254371
[3-(cyclopentylmethoxy)-4-pyridinyl]methanol
CID 105067194
(2-hept-6-enoxyphenyl)methanol
CID 107007457
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
3-(4-but-3-enoxy-1H-pyrazol-5-yl)pyridine
CID 67284292
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866

Frequently Asked Questions

What is the IUPAC name of (3-but-3-enoxy-4-pyridinyl)methanol?
The IUPAC name of (3-but-3-enoxy-4-pyridinyl)methanol (CID 105067106) is (3-but-3-enoxy-4-pyridinyl)methanol.
What is the SMILES notation for (3-but-3-enoxy-4-pyridinyl)methanol?
The canonical SMILES for (3-but-3-enoxy-4-pyridinyl)methanol is C=CCCOc1cnccc1CO.
What is the InChIKey of (3-but-3-enoxy-4-pyridinyl)methanol?
The InChIKey is DVDGCJXKGUXENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-3-6-13-10-7-11-5-4-9(10)8-12/h2,4-5,7,12H,1,3,6,8H2.
What are the key properties of (3-but-3-enoxy-4-pyridinyl)methanol?
(3-but-3-enoxy-4-pyridinyl)methanol has a molecular weight of 179.22 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-enoxy-4-pyridinyl)methanol is sourced from PubChem (CID 105067106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).