[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol

C19H22N2O — CID 6439092

IUPAC[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol
SMILESOCc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C19H22N2O/c22-15-16-6-8-17(9-7-16)18(19-5-1-2-11-20-19)10-14-21-12-3-4-13-21/h1-2,5-11,22H,3-4,12-15H2/b18-10+
InChIKeyTWHRYAZJCOWNBG-VCHYOVAHSA-N
MW294.40 g/mol
LogP3.10
Rot. Bonds5

About [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol

[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol (PubChem CID 6439092) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol
PubChem CID6439092
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol
SMILESOCc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
InChIInChI=1S/C19H22N2O/c22-15-16-6-8-17(9-7-16)18(19-5-1-2-11-20-19)10-14-21-12-3-4-13-21/h1-2,5-11,22H,3-4,12-15H2/b18-10+
InChIKeyTWHRYAZJCOWNBG-VCHYOVAHSA-N
XLogP3.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol?
The IUPAC name of [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol (CID 6439092) is [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol?
The canonical SMILES for [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol is OCc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.
What is the InChIKey of [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol?
The InChIKey is TWHRYAZJCOWNBG-VCHYOVAHSA-N. The full InChI is InChI=1S/C19H22N2O/c22-15-16-6-8-17(9-7-16)18(19-5-1-2-11-20-19)10-14-21-12-3-4-13-21/h1-2,5-11,22H,3-4,12-15H2/b18-10+.
What are the key properties of [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol?
[4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol has a molecular weight of 294.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-1-pyridin-2-yl-3-pyrrolidin-1-ylprop-1-enyl]phenyl]methanol is sourced from PubChem (CID 6439092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).