2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol

C14H21NO — CID 170727806

IUPAC2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
SMILESC=C/C=C(\C=C)CN1CC=C(CCO)CC1
InChIInChI=1S/C14H21NO/c1-3-5-13(4-2)12-15-9-6-14(7-10-15)8-11-16/h3-6,16H,1-2,7-12H2/b13-5+
InChIKeyDNXRBUZNTOGGQX-WLRTZDKTSA-N
MW219.33 g/mol
LogP2.30
Rot. Bonds6

About 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol

2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol (PubChem CID 170727806) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
PubChem CID170727806
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol
SMILESC=C/C=C(\C=C)CN1CC=C(CCO)CC1
InChIInChI=1S/C14H21NO/c1-3-5-13(4-2)12-15-9-6-14(7-10-15)8-11-16/h3-6,16H,1-2,7-12H2/b13-5+
InChIKeyDNXRBUZNTOGGQX-WLRTZDKTSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 13362457
2-[1-(6-Methylhepta-1,3,4,6-tetraen-3-yl)-2,3,6,7-tetrahydroazepin-4-yl]ethanol
CID 91138051
5-(2,3,6,7-Tetrahydroazepin-1-yl)pentan-1-ol
CID 123963373
3-(1-pentyl-2H-pyridin-3-yl)propan-1-ol
CID 149737669
3-(1-pentyl-2H-pyridin-4-yl)propan-1-ol
CID 150285346
1-(4-Methylcyclohexa-2,4-dien-1-yl)piperidin-2-ol
CID 163423969
[1-(Cyclohexa-1,3-dien-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 170423351
1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
CID 170728069
3-(1-butyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-ol
CID 85967070
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 117205617
2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 117205619
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol
CID 117205700

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
The IUPAC name of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol (CID 170727806) is 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol is C=C/C=C(\C=C)CN1CC=C(CCO)CC1.
What is the InChIKey of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
The InChIKey is DNXRBUZNTOGGQX-WLRTZDKTSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-13(4-2)12-15-9-6-14(7-10-15)8-11-16/h3-6,16H,1-2,7-12H2/b13-5+.
What are the key properties of 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol?
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-2H-pyridin-4-yl]ethanol is sourced from PubChem (CID 170727806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).