1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol

C13H21NO — CID 118056216

IUPAC1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C(O)C1=CCCC=C1)N1CCCC1
InChIInChI=1S/C13H21NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h3,7-8,11,13,15H,2,4-6,9-10H2,1H3
InChIKeyIASPMDOJHVKYCX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol

1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 118056216) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID118056216
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C(O)C1=CCCC=C1)N1CCCC1
InChIInChI=1S/C13H21NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h3,7-8,11,13,15H,2,4-6,9-10H2,1H3
InChIKeyIASPMDOJHVKYCX-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
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-yl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol (CID 118056216) is 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol is CC(C(O)C1=CCCC=C1)N1CCCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is IASPMDOJHVKYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h3,7-8,11,13,15H,2,4-6,9-10H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol?
1-cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.11, 3 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-yl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 118056216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).