N-(1-cyanocyclopropyl)-2-hydroxybutanamide

C8H12N2O2 — CID 130875532

IUPACN-(1-cyanocyclopropyl)-2-hydroxybutanamide
SMILESCCC(O)C(=O)NC1(C#N)CC1
InChIInChI=1S/C8H12N2O2/c1-2-6(11)7(12)10-8(5-9)3-4-8/h6,11H,2-4H2,1H3,(H,10,12)
InChIKeyRRUJCDHONUTOKF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.07
Rot. Bonds3

About N-(1-cyanocyclopropyl)-2-hydroxybutanamide

N-(1-cyanocyclopropyl)-2-hydroxybutanamide (PubChem CID 130875532) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-hydroxybutanamide
PubChem CID130875532
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(1-cyanocyclopropyl)-2-hydroxybutanamide
SMILESCCC(O)C(=O)NC1(C#N)CC1
InChIInChI=1S/C8H12N2O2/c1-2-6(11)7(12)10-8(5-9)3-4-8/h6,11H,2-4H2,1H3,(H,10,12)
InChIKeyRRUJCDHONUTOKF-UHFFFAOYSA-N
XLogP-0.07
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-hydroxybutanamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-hydroxybutanamide (CID 130875532) is N-(1-cyanocyclopropyl)-2-hydroxybutanamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-hydroxybutanamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-hydroxybutanamide is CCC(O)C(=O)NC1(C#N)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-hydroxybutanamide?
The InChIKey is RRUJCDHONUTOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-6(11)7(12)10-8(5-9)3-4-8/h6,11H,2-4H2,1H3,(H,10,12).
What are the key properties of N-(1-cyanocyclopropyl)-2-hydroxybutanamide?
N-(1-cyanocyclopropyl)-2-hydroxybutanamide has a molecular weight of 168.20 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-hydroxybutanamide is sourced from PubChem (CID 130875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).