1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol

C11H17NO — CID 77395022

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h2,4-5,11,13H,1,3,6-9H2
InChIKeyVEPDZOQYORGFGA-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.33
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol

1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 77395022) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol
PubChem CID77395022
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(CC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h2,4-5,11,13H,1,3,6-9H2
InChIKeyVEPDZOQYORGFGA-UHFFFAOYSA-N
XLogP1.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol (CID 77395022) is 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol is OC1CCN(CC2=CCCC=C2)C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is VEPDZOQYORGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h2,4-5,11,13H,1,3,6-9H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol?
1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 179.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 77395022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).