N-(2-cyanoprop-2-enyl)formamide

C5H6N2O — CID 87870927

IUPACN-(2-cyanoprop-2-enyl)formamide
SMILESC=C(C#N)CNC=O
InChIInChI=1S/C5H6N2O/c1-5(2-6)3-7-4-8/h4H,1,3H2,(H,7,8)
InChIKeySYLXDDMRGACRTP-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.19
Rot. Bonds3

About N-(2-cyanoprop-2-enyl)formamide

N-(2-cyanoprop-2-enyl)formamide (PubChem CID 87870927) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is N-(2-cyanoprop-2-enyl)formamide.

Molecular Properties

Compound NameN-(2-cyanoprop-2-enyl)formamide
PubChem CID87870927
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC NameN-(2-cyanoprop-2-enyl)formamide
SMILESC=C(C#N)CNC=O
InChIInChI=1S/C5H6N2O/c1-5(2-6)3-7-4-8/h4H,1,3H2,(H,7,8)
InChIKeySYLXDDMRGACRTP-UHFFFAOYSA-N
XLogP-0.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoprop-2-enyl)formamide?
The IUPAC name of N-(2-cyanoprop-2-enyl)formamide (CID 87870927) is N-(2-cyanoprop-2-enyl)formamide.
What is the SMILES notation for N-(2-cyanoprop-2-enyl)formamide?
The canonical SMILES for N-(2-cyanoprop-2-enyl)formamide is C=C(C#N)CNC=O.
What is the InChIKey of N-(2-cyanoprop-2-enyl)formamide?
The InChIKey is SYLXDDMRGACRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-5(2-6)3-7-4-8/h4H,1,3H2,(H,7,8).
What are the key properties of N-(2-cyanoprop-2-enyl)formamide?
N-(2-cyanoprop-2-enyl)formamide has a molecular weight of 110.12 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoprop-2-enyl)formamide is sourced from PubChem (CID 87870927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).