3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H18N2O — CID 130510201

IUPAC3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2C=CCN2)CC2CCC(C1)N2
InChIInChI=1S/C11H18N2O/c14-11(10-2-1-5-12-10)6-8-3-4-9(7-11)13-8/h1-2,8-10,12-14H,3-7H2
InChIKeyYQINSBLFTAQJQY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.16
Rot. Bonds1

About 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 130510201) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID130510201
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(C2C=CCN2)CC2CCC(C1)N2
InChIInChI=1S/C11H18N2O/c14-11(10-2-1-5-12-10)6-8-3-4-9(7-11)13-8/h1-2,8-10,12-14H,3-7H2
InChIKeyYQINSBLFTAQJQY-UHFFFAOYSA-N
XLogP0.16
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,3S)-2-azabicyclo[2.2.1]hept-4(7)-en-3-yl]cyclopentan-1-ol
CID 170100442
(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 11861952
1-[(Cyclohex-3-en-1-ylamino)methyl]cycloheptan-1-ol
CID 65679353
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
3-Prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 79734393
3-(Cycloocten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 106650912
3-(Cyclohexen-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 106650913
3-(Cyclohepten-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 106650914
1-[(Cyclohex-2-en-1-ylamino)methyl]cycloheptan-1-ol
CID 107907124
1-[(Cyclopent-3-en-1-ylamino)methyl]cycloheptan-1-ol
CID 116112154
3-But-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130847455
1-(2,5-dihydro-1H-pyrrol-2-yl)-1-piperidin-2-ylethanol
CID 130877879

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 130510201) is 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(C2C=CCN2)CC2CCC(C1)N2.
What is the InChIKey of 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YQINSBLFTAQJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11(10-2-1-5-12-10)6-8-3-4-9(7-11)13-8/h1-2,8-10,12-14H,3-7H2.
What are the key properties of 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 194.28 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1H-pyrrol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 130510201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).