N-cyanopentanamide

C6H10N2O — CID 57250959

IUPACN-cyanopentanamide
SMILESCCCCC(=O)NC#N
InChIInChI=1S/C6H10N2O/c1-2-3-4-6(9)8-5-7/h2-4H2,1H3,(H,8,9)
InChIKeyXMHRDISBPYNHFW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.77
Rot. Bonds3

About N-cyanopentanamide

N-cyanopentanamide (PubChem CID 57250959) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-cyanopentanamide.

Molecular Properties

Compound NameN-cyanopentanamide
PubChem CID57250959
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-cyanopentanamide
SMILESCCCCC(=O)NC#N
InChIInChI=1S/C6H10N2O/c1-2-3-4-6(9)8-5-7/h2-4H2,1H3,(H,8,9)
InChIKeyXMHRDISBPYNHFW-UHFFFAOYSA-N
XLogP0.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Butyrylcyanamid
CID 14677382
n-Cyano-3,3-difluoropentanamide
CID 164651563
N-cyanohexanamide
CID 15100145
Heptanamide, N-cyano-
CID 18997682
N'-cyanohexanediamide
CID 53744313
N-cyano-4-methylpentanamide
CID 79193781
N-cyano-2-methylpentanamide
CID 79195283
glutaric acid bis-(N-cyanamide)
CID 88642675
N'-cyanopentanediamide
CID 88841413
N-cyano-2,3-dimethylcyclopropane-1-carboxamide
CID 163844316
Butanamide;cyanocyanamide
CID 172764946
Azane;pentanamide
CID 174298722

Frequently Asked Questions

What is the IUPAC name of N-cyanopentanamide?
The IUPAC name of N-cyanopentanamide (CID 57250959) is N-cyanopentanamide.
What is the SMILES notation for N-cyanopentanamide?
The canonical SMILES for N-cyanopentanamide is CCCCC(=O)NC#N.
What is the InChIKey of N-cyanopentanamide?
The InChIKey is XMHRDISBPYNHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-4-6(9)8-5-7/h2-4H2,1H3,(H,8,9).
What are the key properties of N-cyanopentanamide?
N-cyanopentanamide has a molecular weight of 126.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyanopentanamide is sourced from PubChem (CID 57250959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).