4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile

C9H16N2O2 — CID 130634766

IUPAC4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile
SMILESCC[C@H](O)CN1CCOCC1C#N
InChIInChI=1S/C9H16N2O2/c1-2-9(12)6-11-3-4-13-7-8(11)5-10/h8-9,12H,2-4,6-7H2,1H3/t8?,9-/m0/s1
InChIKeyCWDQCJIECYQVEI-GKAPJAKFSA-N
MW184.24 g/mol
LogP-0.02
Rot. Bonds3

About 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile

4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile (PubChem CID 130634766) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile
PubChem CID130634766
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile
SMILESCC[C@H](O)CN1CCOCC1C#N
InChIInChI=1S/C9H16N2O2/c1-2-9(12)6-11-3-4-13-7-8(11)5-10/h8-9,12H,2-4,6-7H2,1H3/t8?,9-/m0/s1
InChIKeyCWDQCJIECYQVEI-GKAPJAKFSA-N
XLogP-0.02
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutyl)morpholine-3-carbonitrile
CID 117009038
4-(2-morpholin-4-ylethyl)morpholine-3-carbonitrile
CID 117009025
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
(3S)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]morpholine-3-carbonitrile
CID 97056228
(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
CID 129371054
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
(3R)-4-[(3,4-dimethylphenyl)methyl]morpholine-3-carbonitrile
CID 124516636
4-(2-fluorobutyl)-3-methylmorpholine
CID 131089000
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile
CID 84588524
1-(tert-butylamino)-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 115474924
1-(3-ethoxy-2-hydroxypropyl)piperazine-2-carbonitrile
CID 79085659

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile?
The IUPAC name of 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile (CID 130634766) is 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile.
What is the SMILES notation for 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile?
The canonical SMILES for 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile is CC[C@H](O)CN1CCOCC1C#N.
What is the InChIKey of 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile?
The InChIKey is CWDQCJIECYQVEI-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-9(12)6-11-3-4-13-7-8(11)5-10/h8-9,12H,2-4,6-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile?
4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxybutyl]morpholine-3-carbonitrile is sourced from PubChem (CID 130634766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).