5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol

C11H16N2O — CID 89322861

IUPAC5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol
SMILESCN[C@@H](C)C/C=C/c1cncc(O)c1
InChIInChI=1S/C11H16N2O/c1-9(12-2)4-3-5-10-6-11(14)8-13-7-10/h3,5-9,12,14H,4H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyUVSVAXFPUOHHQV-SGRBOOSSSA-N
MW192.26 g/mol
LogP1.80
Rot. Bonds4

About 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol

5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol (PubChem CID 89322861) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol
PubChem CID89322861
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol
SMILESCN[C@@H](C)C/C=C/c1cncc(O)c1
InChIInChI=1S/C11H16N2O/c1-9(12-2)4-3-5-10-6-11(14)8-13-7-10/h3,5-9,12,14H,4H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyUVSVAXFPUOHHQV-SGRBOOSSSA-N
XLogP1.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
CID 18384976
(E,2S)-5-(5-methoxy-3-pyridinyl)-N-methylpent-4-en-2-amine;hydrochloride
CID 68854835
(E,2R)-N-methyl-5-pyrimidin-5-ylpent-4-en-2-amine
CID 10329870
(E)-5-[5-(4-chlorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
CID 22262903
(2S)-5-[5-(4-fluorophenoxy)-3-pyridinyl]-N-methylpent-4-en-2-amine
CID 66746697
5-(3-bromoprop-1-enyl)pyridin-3-ol
CID 169475014
(E)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine
CID 22262897
(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine
CID 10107420
(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
CID 22714596
2-methoxy-1-[(3S)-3-[[5-[(4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 154069341
tetrakis((E,2S)-N-methyl-5-pyridin-3-ylpent-4-en-2-amine);(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 131726710
(4-fluorophenyl)-[(3R)-3-[[5-[(E,4S)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 118037755

Frequently Asked Questions

What is the IUPAC name of 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol?
The IUPAC name of 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol (CID 89322861) is 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol.
What is the SMILES notation for 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol?
The canonical SMILES for 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol is CN[C@@H](C)C/C=C/c1cncc(O)c1.
What is the InChIKey of 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol?
The InChIKey is UVSVAXFPUOHHQV-SGRBOOSSSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(12-2)4-3-5-10-6-11(14)8-13-7-10/h3,5-9,12,14H,4H2,1-2H3/b5-3+/t9-/m0/s1.
What are the key properties of 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol?
5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol has a molecular weight of 192.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E,4S)-4-(methylamino)pent-1-enyl]pyridin-3-ol is sourced from PubChem (CID 89322861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).