N-(1-cyanopentyl)formamide

C7H12N2O — CID 54331880

IUPACN-(1-cyanopentyl)formamide
SMILESCCCCC(C#N)NC=O
InChIInChI=1S/C7H12N2O/c1-2-3-4-7(5-8)9-6-10/h6-7H,2-4H2,1H3,(H,9,10)
InChIKeyHIYSYRYBWSNCHF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.81
Rot. Bonds5

About N-(1-cyanopentyl)formamide

N-(1-cyanopentyl)formamide (PubChem CID 54331880) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(1-cyanopentyl)formamide.

Molecular Properties

Compound NameN-(1-cyanopentyl)formamide
PubChem CID54331880
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(1-cyanopentyl)formamide
SMILESCCCCC(C#N)NC=O
InChIInChI=1S/C7H12N2O/c1-2-3-4-7(5-8)9-6-10/h6-7H,2-4H2,1H3,(H,9,10)
InChIKeyHIYSYRYBWSNCHF-UHFFFAOYSA-N
XLogP0.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopentyl)formamide?
The IUPAC name of N-(1-cyanopentyl)formamide (CID 54331880) is N-(1-cyanopentyl)formamide.
What is the SMILES notation for N-(1-cyanopentyl)formamide?
The canonical SMILES for N-(1-cyanopentyl)formamide is CCCCC(C#N)NC=O.
What is the InChIKey of N-(1-cyanopentyl)formamide?
The InChIKey is HIYSYRYBWSNCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-7(5-8)9-6-10/h6-7H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(1-cyanopentyl)formamide?
N-(1-cyanopentyl)formamide has a molecular weight of 140.19 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopentyl)formamide is sourced from PubChem (CID 54331880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).