4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol

C13H21NO2 — CID 143615592

IUPAC4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC(C(O)CCN2CCCC2)=CC1
InChIInChI=1S/C13H21NO2/c15-12-5-3-11(4-6-12)13(16)7-10-14-8-1-2-9-14/h3-5,12-13,15-16H,1-2,6-10H2
InChIKeyLTBJGHJNADQLMO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.08
Rot. Bonds4

About 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol

4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 143615592) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
PubChem CID143615592
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
SMILESOC1C=CC(C(O)CCN2CCCC2)=CC1
InChIInChI=1S/C13H21NO2/c15-12-5-3-11(4-6-12)13(16)7-10-14-8-1-2-9-14/h3-5,12-13,15-16H,1-2,6-10H2
InChIKeyLTBJGHJNADQLMO-UHFFFAOYSA-N
XLogP1.08
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol
CID 144811357
3-Hydroxy-1-(pyrrolidin-1-yl)methyl-3-hydroxybenzene
CID 18403794
(1R)-1-(2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 71131219
(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
CID 89340754
1-Cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
CID 118056216
4-Ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123749955
4-Ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123772804
(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol
CID 130427649
(1S)-1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 132152326
(3R,4E,6Z)-4-ethenyl-2-pyrrolidin-1-ylocta-4,6-dien-3-ol
CID 141912419
2-[(Dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
CID 143199619
(3E)-3-ethenyl-1-piperidin-1-ylhexa-3,5-dien-2-ol
CID 143551128

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol (CID 143615592) is 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol is OC1C=CC(C(O)CCN2CCCC2)=CC1.
What is the InChIKey of 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is LTBJGHJNADQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-5-3-11(4-6-12)13(16)7-10-14-8-1-2-9-14/h3-5,12-13,15-16H,1-2,6-10H2.
What are the key properties of 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol?
4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 143615592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).