9-(hydroxymethyl)-1,5-diazacycloundecan-2-one

C10H20N2O2 — CID 110201498

IUPAC9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CCNCCCC(CO)CCN1
InChIInChI=1S/C10H20N2O2/c13-8-9-2-1-5-11-6-4-10(14)12-7-3-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyKIMAOXVGYYBBSS-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.13
Rot. Bonds1

About 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one

9-(hydroxymethyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201498) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
PubChem CID110201498
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
SMILESO=C1CCNCCCC(CO)CCN1
InChIInChI=1S/C10H20N2O2/c13-8-9-2-1-5-11-6-4-10(14)12-7-3-9/h9,11,13H,1-8H2,(H,12,14)
InChIKeyKIMAOXVGYYBBSS-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one (CID 110201498) is 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one is O=C1CCNCCCC(CO)CCN1.
What is the InChIKey of 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one?
The InChIKey is KIMAOXVGYYBBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-8-9-2-1-5-11-6-4-10(14)12-7-3-9/h9,11,13H,1-8H2,(H,12,14).
What are the key properties of 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one?
9-(hydroxymethyl)-1,5-diazacycloundecan-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).