N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide

C9H12N4O — CID 10704573

IUPACN-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide
SMILESCCCCC(=O)N/C(C#N)=C(\N)C#N
InChIInChI=1S/C9H12N4O/c1-2-3-4-9(14)13-8(6-11)7(12)5-10/h2-4,12H2,1H3,(H,13,14)/b8-7-
InChIKeyNLBQXNRGUOGRRK-FPLPWBNLSA-N
MW192.22 g/mol
LogP0.51
Rot. Bonds4

About N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide

N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide (PubChem CID 10704573) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide
PubChem CID10704573
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide
SMILESCCCCC(=O)N/C(C#N)=C(\N)C#N
InChIInChI=1S/C9H12N4O/c1-2-3-4-9(14)13-8(6-11)7(12)5-10/h2-4,12H2,1H3,(H,13,14)/b8-7-
InChIKeyNLBQXNRGUOGRRK-FPLPWBNLSA-N
XLogP0.51
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide
CID 16679784
N-(cyanomethyl)pentanamide;hydrochloride
CID 141008965
N-carbamoyloctanamide
CID 24740663
N-decanoyldecanamide
CID 87914075
N-(3-oxobutanoyl)pentanamide
CID 86030828
N-(cyanomethyl)decanamide
CID 62399737
N-octanoyloctanamide;hydrobromide
CID 175059894
N-(acetylcarbamoyl)pentanamide
CID 57354637
2-(pentanoylamino)prop-2-enoic acid
CID 87954179
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
N-(bromocarbamoyl)pentanamide
CID 101382986
N-(2-cyanopropan-2-yl)pentanamide
CID 60966959

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide?
The IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide (CID 10704573) is N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide.
What is the SMILES notation for N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide?
The canonical SMILES for N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide is CCCCC(=O)N/C(C#N)=C(\N)C#N.
What is the InChIKey of N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide?
The InChIKey is NLBQXNRGUOGRRK-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-3-4-9(14)13-8(6-11)7(12)5-10/h2-4,12H2,1H3,(H,13,14)/b8-7-.
What are the key properties of N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide?
N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide has a molecular weight of 192.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1,2-dicyanoethenyl]pentanamide is sourced from PubChem (CID 10704573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).