N-(cyanomethyl)pentanamide;hydrochloride

C7H13ClN2O — CID 141008965

IUPACN-(cyanomethyl)pentanamide;hydrochloride
SMILESCCCCC(=O)NCC#N.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-2-3-4-7(10)9-6-5-8;/h2-4,6H2,1H3,(H,9,10);1H
InChIKeyDVJOLWSGLDUAKB-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.24
Rot. Bonds4

About N-(cyanomethyl)pentanamide;hydrochloride

N-(cyanomethyl)pentanamide;hydrochloride (PubChem CID 141008965) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is N-(cyanomethyl)pentanamide;hydrochloride.

Molecular Properties

Compound NameN-(cyanomethyl)pentanamide;hydrochloride
PubChem CID141008965
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC NameN-(cyanomethyl)pentanamide;hydrochloride
SMILESCCCCC(=O)NCC#N.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-2-3-4-7(10)9-6-5-8;/h2-4,6H2,1H3,(H,9,10);1H
InChIKeyDVJOLWSGLDUAKB-UHFFFAOYSA-N
XLogP1.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)decanamide
CID 62399737
N-(cyanomethyl)-4-methoxybutanamide
CID 78989538
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
7-amino-N-(cyanomethyl)heptanamide
CID 61254077
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570
4-bromobutanoic acid;4-bromo-N-(cyanomethyl)butanamide
CID 87406570
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-(4-cyanobutyl)octanamide
CID 63284822
N-tetradecylpentanamide
CID 87172595
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
1-(cyanomethyl)-3-pentylurea
CID 108864748
N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide
CID 10704573

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)pentanamide;hydrochloride?
The IUPAC name of N-(cyanomethyl)pentanamide;hydrochloride (CID 141008965) is N-(cyanomethyl)pentanamide;hydrochloride.
What is the SMILES notation for N-(cyanomethyl)pentanamide;hydrochloride?
The canonical SMILES for N-(cyanomethyl)pentanamide;hydrochloride is CCCCC(=O)NCC#N.Cl.
What is the InChIKey of N-(cyanomethyl)pentanamide;hydrochloride?
The InChIKey is DVJOLWSGLDUAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-2-3-4-7(10)9-6-5-8;/h2-4,6H2,1H3,(H,9,10);1H.
What are the key properties of N-(cyanomethyl)pentanamide;hydrochloride?
N-(cyanomethyl)pentanamide;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)pentanamide;hydrochloride is sourced from PubChem (CID 141008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).