(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol

C17H25NO — CID 118311785

IUPAC(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol
SMILESC=C(/C=C\C)C1=C(CCC)[C@H](O)N(CC)C(=C)C1=C
InChIInChI=1S/C17H25NO/c1-7-10-12(4)16-13(5)14(6)18(9-3)17(19)15(16)11-8-2/h7,10,17,19H,4-6,8-9,11H2,1-3H3/b10-7-/t17-/m0/s1
InChIKeyGHAIMVZSEZDUPS-JEZWAEDTSA-N
MW259.39 g/mol
LogP3.94
Rot. Bonds5

About (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol

(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol (PubChem CID 118311785) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol
PubChem CID118311785
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol
SMILESC=C(/C=C\C)C1=C(CCC)[C@H](O)N(CC)C(=C)C1=C
InChIInChI=1S/C17H25NO/c1-7-10-12(4)16-13(5)14(6)18(9-3)17(19)15(16)11-8-2/h7,10,17,19H,4-6,8-9,11H2,1-3H3/b10-7-/t17-/m0/s1
InChIKeyGHAIMVZSEZDUPS-JEZWAEDTSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol?
The IUPAC name of (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol (CID 118311785) is (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol.
What is the SMILES notation for (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol?
The canonical SMILES for (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol is C=C(/C=C\C)C1=C(CCC)[C@H](O)N(CC)C(=C)C1=C.
What is the InChIKey of (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol?
The InChIKey is GHAIMVZSEZDUPS-JEZWAEDTSA-N. The full InChI is InChI=1S/C17H25NO/c1-7-10-12(4)16-13(5)14(6)18(9-3)17(19)15(16)11-8-2/h7,10,17,19H,4-6,8-9,11H2,1-3H3/b10-7-/t17-/m0/s1.
What are the key properties of (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol?
(2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-5,6-dimethylidene-4-[(3Z)-penta-1,3-dien-2-yl]-3-propyl-2H-pyridin-2-ol is sourced from PubChem (CID 118311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).