4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile

C9H17N3O2 — CID 79674172

IUPAC4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
SMILESCNCC(O)CN1CCOC(C#N)C1
InChIInChI=1S/C9H17N3O2/c1-11-5-8(13)6-12-2-3-14-9(4-10)7-12/h8-9,11,13H,2-3,5-7H2,1H3
InChIKeyQYMMXVVSBRYRLL-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.21
Rot. Bonds4

About 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile

4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile (PubChem CID 79674172) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
PubChem CID79674172
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile
SMILESCNCC(O)CN1CCOC(C#N)C1
InChIInChI=1S/C9H17N3O2/c1-11-5-8(13)6-12-2-3-14-9(4-10)7-12/h8-9,11,13H,2-3,5-7H2,1H3
InChIKeyQYMMXVVSBRYRLL-UHFFFAOYSA-N
XLogP-1.21
TPSA68.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile (CID 79674172) is 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile is CNCC(O)CN1CCOC(C#N)C1.
What is the InChIKey of 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile?
The InChIKey is QYMMXVVSBRYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11-5-8(13)6-12-2-3-14-9(4-10)7-12/h8-9,11,13H,2-3,5-7H2,1H3.
What are the key properties of 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile?
4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile has a molecular weight of 199.25 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(methylamino)propyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).