(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol

C10H17NO — CID 11367215

IUPAC(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol
SMILESC=CC[C@@H](O)C[C@H]1CC=CCN1
InChIInChI=1S/C10H17NO/c1-2-5-10(12)8-9-6-3-4-7-11-9/h2-4,9-12H,1,5-8H2/t9-,10-/m1/s1
InChIKeyJKUBRVHQKGXHJN-NXEZZACHSA-N
MW167.25 g/mol
LogP1.23
Rot. Bonds4

About (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol

(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol (PubChem CID 11367215) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol
PubChem CID11367215
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol
SMILESC=CC[C@@H](O)C[C@H]1CC=CCN1
InChIInChI=1S/C10H17NO/c1-2-5-10(12)8-9-6-3-4-7-11-9/h2-4,9-12H,1,5-8H2/t9-,10-/m1/s1
InChIKeyJKUBRVHQKGXHJN-NXEZZACHSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol?
The IUPAC name of (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol (CID 11367215) is (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol?
The canonical SMILES for (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol is C=CC[C@@H](O)C[C@H]1CC=CCN1.
What is the InChIKey of (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol?
The InChIKey is JKUBRVHQKGXHJN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-10(12)8-9-6-3-4-7-11-9/h2-4,9-12H,1,5-8H2/t9-,10-/m1/s1.
What are the key properties of (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol?
(2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-1,2,3,6-tetrahydropyridin-2-yl]pent-4-en-2-ol is sourced from PubChem (CID 11367215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).