(4S)-4-hydroxypentanenitrile

C5H9NO — CID 15648922

IUPAC(4S)-4-hydroxypentanenitrile
SMILESC[C@H](O)CCC#N
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyDDAZLAPWOWQGKS-YFKPBYRVSA-N
MW99.13 g/mol
LogP0.67
Rot. Bonds2

About (4S)-4-hydroxypentanenitrile

(4S)-4-hydroxypentanenitrile (PubChem CID 15648922) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (4S)-4-hydroxypentanenitrile.

Molecular Properties

Compound Name(4S)-4-hydroxypentanenitrile
PubChem CID15648922
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(4S)-4-hydroxypentanenitrile
SMILESC[C@H](O)CCC#N
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h5,7H,2-3H2,1H3/t5-/m0/s1
InChIKeyDDAZLAPWOWQGKS-YFKPBYRVSA-N
XLogP0.67
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxypentanenitrile?
The IUPAC name of (4S)-4-hydroxypentanenitrile (CID 15648922) is (4S)-4-hydroxypentanenitrile.
What is the SMILES notation for (4S)-4-hydroxypentanenitrile?
The canonical SMILES for (4S)-4-hydroxypentanenitrile is C[C@H](O)CCC#N.
What is the InChIKey of (4S)-4-hydroxypentanenitrile?
The InChIKey is DDAZLAPWOWQGKS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(7)3-2-4-6/h5,7H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (4S)-4-hydroxypentanenitrile?
(4S)-4-hydroxypentanenitrile has a molecular weight of 99.13 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxypentanenitrile is sourced from PubChem (CID 15648922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).