10-pyrrol-1-yldecane-2,5,8-triol

C14H25NO3 — CID 70371185

IUPAC10-pyrrol-1-yldecane-2,5,8-triol
SMILESCC(O)CCC(O)CCC(O)CCn1cccc1
InChIInChI=1S/C14H25NO3/c1-12(16)4-5-13(17)6-7-14(18)8-11-15-9-2-3-10-15/h2-3,9-10,12-14,16-18H,4-8,11H2,1H3
InChIKeyZCPWQWYIBGHBDI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.54
Rot. Bonds9

About 10-pyrrol-1-yldecane-2,5,8-triol

10-pyrrol-1-yldecane-2,5,8-triol (PubChem CID 70371185) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 10-pyrrol-1-yldecane-2,5,8-triol.

Molecular Properties

Compound Name10-pyrrol-1-yldecane-2,5,8-triol
PubChem CID70371185
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name10-pyrrol-1-yldecane-2,5,8-triol
SMILESCC(O)CCC(O)CCC(O)CCn1cccc1
InChIInChI=1S/C14H25NO3/c1-12(16)4-5-13(17)6-7-14(18)8-11-15-9-2-3-10-15/h2-3,9-10,12-14,16-18H,4-8,11H2,1H3
InChIKeyZCPWQWYIBGHBDI-UHFFFAOYSA-N
XLogP1.54
TPSA65.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-pyrrol-1-yldecane-2,5,8-triol?
The IUPAC name of 10-pyrrol-1-yldecane-2,5,8-triol (CID 70371185) is 10-pyrrol-1-yldecane-2,5,8-triol.
What is the SMILES notation for 10-pyrrol-1-yldecane-2,5,8-triol?
The canonical SMILES for 10-pyrrol-1-yldecane-2,5,8-triol is CC(O)CCC(O)CCC(O)CCn1cccc1.
What is the InChIKey of 10-pyrrol-1-yldecane-2,5,8-triol?
The InChIKey is ZCPWQWYIBGHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(16)4-5-13(17)6-7-14(18)8-11-15-9-2-3-10-15/h2-3,9-10,12-14,16-18H,4-8,11H2,1H3.
What are the key properties of 10-pyrrol-1-yldecane-2,5,8-triol?
10-pyrrol-1-yldecane-2,5,8-triol has a molecular weight of 255.36 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyrrol-1-yldecane-2,5,8-triol is sourced from PubChem (CID 70371185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).