3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol

C14H23NO2 — CID 143615614

IUPAC3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
SMILESCOC1C=CC(CCC(O)N2CCCC2)=CC1
InChIInChI=1S/C14H23NO2/c1-17-13-7-4-12(5-8-13)6-9-14(16)15-10-2-3-11-15/h4-5,7,13-14,16H,2-3,6,8-11H2,1H3
InChIKeyCORDRIRNFNONBC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds5

About 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol

3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol (PubChem CID 143615614) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
PubChem CID143615614
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
SMILESCOC1C=CC(CCC(O)N2CCCC2)=CC1
InChIInChI=1S/C14H23NO2/c1-17-13-7-4-12(5-8-13)6-9-14(16)15-10-2-3-11-15/h4-5,7,13-14,16H,2-3,6,8-11H2,1H3
InChIKeyCORDRIRNFNONBC-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
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
[1-[Iodo-(6-methoxycyclohexa-1,3-dien-1-yl)methyl]pyrrolidin-2-yl]methanol
CID 89688760
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
(1S)-1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 132152326
4-(1-Hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
CID 143615592
(3Z,5Z)-7-methoxy-3-methyl-1-piperidin-1-ylocta-3,5,7-trien-1-ol
CID 144302421

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol (CID 143615614) is 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol is COC1C=CC(CCC(O)N2CCCC2)=CC1.
What is the InChIKey of 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is CORDRIRNFNONBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-17-13-7-4-12(5-8-13)6-9-14(16)15-10-2-3-11-15/h4-5,7,13-14,16H,2-3,6,8-11H2,1H3.
What are the key properties of 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol?
3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 143615614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).