(2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile

C10H18N2O — CID 93483053

IUPAC(2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile
SMILESC[C@H](C#N)CCC[C@@H]1CNCCO1
InChIInChI=1S/C10H18N2O/c1-9(7-11)3-2-4-10-8-12-5-6-13-10/h9-10,12H,2-6,8H2,1H3/t9-,10+/m0/s1
InChIKeyOFGQNDUYVVWJTJ-VHSXEESVSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile

(2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile (PubChem CID 93483053) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile.

Molecular Properties

Compound Name(2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile
PubChem CID93483053
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile
SMILESC[C@H](C#N)CCC[C@@H]1CNCCO1
InChIInChI=1S/C10H18N2O/c1-9(7-11)3-2-4-10-8-12-5-6-13-10/h9-10,12H,2-6,8H2,1H3/t9-,10+/m0/s1
InChIKeyOFGQNDUYVVWJTJ-VHSXEESVSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-morpholin-2-ylbutan-1-ol
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5-methyl-N-(2-morpholin-2-ylethyl)hexan-1-amine
CID 115326053
2-(6-bromohexyl)morpholine
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3-morpholin-2-ylpropanenitrile;propanoate
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CID 69116594

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile?
The IUPAC name of (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile (CID 93483053) is (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile.
What is the SMILES notation for (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile?
The canonical SMILES for (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile is C[C@H](C#N)CCC[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile?
The InChIKey is OFGQNDUYVVWJTJ-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(7-11)3-2-4-10-8-12-5-6-13-10/h9-10,12H,2-6,8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile?
(2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-[(2R)-morpholin-2-yl]pentanenitrile is sourced from PubChem (CID 93483053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).