(5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol

C11H17NO2 — CID 70205711

IUPAC(5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol
SMILESOC1CN[C@H](COC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO2/c13-10-6-9(12-7-10)8-14-11-4-2-1-3-5-11/h2,4-5,9-10,12-13H,1,3,6-8H2/t9-,10?/m0/s1
InChIKeyIGZYVKMWDXORNS-RGURZIINSA-N
MW195.26 g/mol
LogP0.96
Rot. Bonds3

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

(5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol (PubChem CID 70205711) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol
PubChem CID70205711
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol
SMILESOC1CN[C@H](COC2=CCCC=C2)C1
InChIInChI=1S/C11H17NO2/c13-10-6-9(12-7-10)8-14-11-4-2-1-3-5-11/h2,4-5,9-10,12-13H,1,3,6-8H2/t9-,10?/m0/s1
InChIKeyIGZYVKMWDXORNS-RGURZIINSA-N
XLogP0.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol?
The IUPAC name of (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol (CID 70205711) is (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol is OC1CN[C@H](COC2=CCCC=C2)C1.
What is the InChIKey of (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol?
The InChIKey is IGZYVKMWDXORNS-RGURZIINSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-6-9(12-7-10)8-14-11-4-2-1-3-5-11/h2,4-5,9-10,12-13H,1,3,6-8H2/t9-,10?/m0/s1.
What are the key properties of (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol?
(5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol has a molecular weight of 195.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclohexa-1,5-dien-1-yloxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70205711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).