(1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol

C11H17NO — CID 173351198

IUPAC(1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol
SMILESOCC1CCCN1C1=CCCC=C1
InChIInChI=1S/C11H17NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h2,5-6,11,13H,1,3-4,7-9H2
InChIKeyPKUBDZJUAMMICV-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.68
Rot. Bonds2

About (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol

(1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol (PubChem CID 173351198) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol
PubChem CID173351198
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol
SMILESOCC1CCCN1C1=CCCC=C1
InChIInChI=1S/C11H17NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h2,5-6,11,13H,1,3-4,7-9H2
InChIKeyPKUBDZJUAMMICV-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol (CID 173351198) is (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol is OCC1CCCN1C1=CCCC=C1.
What is the InChIKey of (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol?
The InChIKey is PKUBDZJUAMMICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-9-11-7-4-8-12(11)10-5-2-1-3-6-10/h2,5-6,11,13H,1,3-4,7-9H2.
What are the key properties of (1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol?
(1-cyclohexa-1,5-dien-1-ylpyrrolidin-2-yl)methanol has a molecular weight of 179.26 g/mol, XLogP of 1.68, 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-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 173351198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).