2-cyano-N-(1-hydroxypentan-3-yl)propanamide

C9H16N2O2 — CID 115767204

IUPAC2-cyano-N-(1-hydroxypentan-3-yl)propanamide
SMILESCCC(CCO)NC(=O)C(C)C#N
InChIInChI=1S/C9H16N2O2/c1-3-8(4-5-12)11-9(13)7(2)6-10/h7-8,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyFXVWLCOBJHZAPI-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds5

About 2-cyano-N-(1-hydroxypentan-3-yl)propanamide

2-cyano-N-(1-hydroxypentan-3-yl)propanamide (PubChem CID 115767204) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxypentan-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxypentan-3-yl)propanamide
PubChem CID115767204
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-(1-hydroxypentan-3-yl)propanamide
SMILESCCC(CCO)NC(=O)C(C)C#N
InChIInChI=1S/C9H16N2O2/c1-3-8(4-5-12)11-9(13)7(2)6-10/h7-8,12H,3-5H2,1-2H3,(H,11,13)
InChIKeyFXVWLCOBJHZAPI-UHFFFAOYSA-N
XLogP0.42
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(1S)-1-cyanopropyl]propanamide
CID 131154745
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
N-(1-hydroxypentan-3-yl)but-2-ynamide
CID 107262074
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
2-(cyanomethylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767153
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
2-cyano-N-ethylpropanamide
CID 23199183
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 112696041
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxypentan-3-yl)propanamide?
The IUPAC name of 2-cyano-N-(1-hydroxypentan-3-yl)propanamide (CID 115767204) is 2-cyano-N-(1-hydroxypentan-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxypentan-3-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxypentan-3-yl)propanamide is CCC(CCO)NC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-(1-hydroxypentan-3-yl)propanamide?
The InChIKey is FXVWLCOBJHZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-8(4-5-12)11-9(13)7(2)6-10/h7-8,12H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 2-cyano-N-(1-hydroxypentan-3-yl)propanamide?
2-cyano-N-(1-hydroxypentan-3-yl)propanamide has a molecular weight of 184.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-hydroxypentan-3-yl)propanamide is sourced from PubChem (CID 115767204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).