3-hydroxypentanedi(15N)nitrile

C5H6N2O — CID 25240589

IUPAC3-hydroxypentanedi(15N)nitrile
SMILESN#CCC(O)CC#[15N]
InChIInChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2/i6+1
InChIKeyNMFITULDMUZCQD-PTQBSOBMSA-N
MW111.11 g/mol
LogP0.17
Rot. Bonds2

About 3-hydroxypentanedi(15N)nitrile

3-hydroxypentanedi(15N)nitrile (PubChem CID 25240589) has the molecular formula C5H6N2O and a molecular weight of 111.11 g/mol. Its IUPAC name is 3-hydroxypentanedi(15N)nitrile.

Molecular Properties

Compound Name3-hydroxypentanedi(15N)nitrile
PubChem CID25240589
Molecular FormulaC5H6N2O
Molecular Weight111.11 g/mol
Exact Mass111.05
IUPAC Name3-hydroxypentanedi(15N)nitrile
SMILESN#CCC(O)CC#[15N]
InChIInChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2/i6+1
InChIKeyNMFITULDMUZCQD-PTQBSOBMSA-N
XLogP0.17
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.11
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-6-trimethylsilylhex-5-ynenitrile
CID 76764362
3,4-dihydroxyhexanenitrile
CID 175092381
(3R)-3-hydroxypent-4-enenitrile
CID 54179979
potassium;4-cyano-3-hydroxybutanoic acid;hydride
CID 173046665
(3R)-3-hydroxynonanenitrile
CID 11298091
[(2S)-3-cyano-2-hydroxypropyl]-trimethylazanium perchlorate
CID 10988473
3-hydroxyoct-7-enenitrile
CID 23468119
[(2S)-3-cyano-2-hydroxypropyl] methanesulfonate
CID 15037028
(5S)-3,5-dihydroxydecanenitrile
CID 71379501
ethyl (3R)-4-cyano-3-hydroxybutanoate
CID 2733879
(3S)-3-hydroxy-4,4-dimethylpentanenitrile
CID 93234122
[(2R)-3-cyano-2-hydroxypropyl]-methylsulfamic acid
CID 2060472

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypentanedi(15N)nitrile?
The IUPAC name of 3-hydroxypentanedi(15N)nitrile (CID 25240589) is 3-hydroxypentanedi(15N)nitrile.
What is the SMILES notation for 3-hydroxypentanedi(15N)nitrile?
The canonical SMILES for 3-hydroxypentanedi(15N)nitrile is N#CCC(O)CC#[15N].
What is the InChIKey of 3-hydroxypentanedi(15N)nitrile?
The InChIKey is NMFITULDMUZCQD-PTQBSOBMSA-N. The full InChI is InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2/i6+1.
What are the key properties of 3-hydroxypentanedi(15N)nitrile?
3-hydroxypentanedi(15N)nitrile has a molecular weight of 111.11 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypentanedi(15N)nitrile is sourced from PubChem (CID 25240589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).