[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol

C8H13NO — CID 130748385

IUPAC[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol
SMILESOCC1=C[C@@H]2CCCN2C1
InChIInChI=1S/C8H13NO/c10-6-7-4-8-2-1-3-9(8)5-7/h4,8,10H,1-3,5-6H2/t8-/m0/s1
InChIKeyIQXYZRGPMPAFKA-QMMMGPOBSA-N
MW139.20 g/mol
LogP0.38
Rot. Bonds1

About [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol

[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol (PubChem CID 130748385) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol.

Molecular Properties

Compound Name[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol
PubChem CID130748385
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol
SMILESOCC1=C[C@@H]2CCCN2C1
InChIInChI=1S/C8H13NO/c10-6-7-4-8-2-1-3-9(8)5-7/h4,8,10H,1-3,5-6H2/t8-/m0/s1
InChIKeyIQXYZRGPMPAFKA-QMMMGPOBSA-N
XLogP0.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizine-7-methanol
CID 164663
5,6,7,8-Tetrahydro-3H-pyrrolizin-1-ylmethanol
CID 186156
[(8aS)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
CID 53483657
1,2,3,5,6,8a-Hexahydroindolizin-8-ylmethanol
CID 11804970
Iqxyzrgpmpafka-uhfffaoysa-
CID 21728066
(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 15480743
1,2,3,5,6,8a-Hexahydroindolizine-7-methanol
CID 22120933
(R)-3-Hydroxy-1-(N-methylpyrrolidin-2-yl)propene
CID 53698862
3-(1-Methylpyrrolidin-2-yl)prop-2-en-1-ol
CID 70146895
[(7AR)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methanol
CID 12443151
3,4,5,6,7,8-Hexahydropyrrolizin-4-ium-2-ylmethanol
CID 21728067
[(8aR)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]methanol
CID 101838529

Frequently Asked Questions

What is the IUPAC name of [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol?
The IUPAC name of [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol (CID 130748385) is [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol.
What is the SMILES notation for [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol?
The canonical SMILES for [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol is OCC1=C[C@@H]2CCCN2C1.
What is the InChIKey of [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol?
The InChIKey is IQXYZRGPMPAFKA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO/c10-6-7-4-8-2-1-3-9(8)5-7/h4,8,10H,1-3,5-6H2/t8-/m0/s1.
What are the key properties of [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol?
[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-2-yl]methanol is sourced from PubChem (CID 130748385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).