N-[(1S)-1-cyanoethyl]formamide

C4H6N2O — CID 18610970

IUPACN-[(1S)-1-cyanoethyl]formamide
SMILESC[C@@H](C#N)NC=O
InChIInChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)/t4-/m0/s1
InChIKeyONONIESHMTZAKB-BYPYZUCNSA-N
MW98.10 g/mol
LogP-0.36
Rot. Bonds2

About N-[(1S)-1-cyanoethyl]formamide

N-[(1S)-1-cyanoethyl]formamide (PubChem CID 18610970) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is N-[(1S)-1-cyanoethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanoethyl]formamide
PubChem CID18610970
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC NameN-[(1S)-1-cyanoethyl]formamide
SMILESC[C@@H](C#N)NC=O
InChIInChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)/t4-/m0/s1
InChIKeyONONIESHMTZAKB-BYPYZUCNSA-N
XLogP-0.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.36
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-[(1S)-1-cyanoethyl]formamide?
The IUPAC name of N-[(1S)-1-cyanoethyl]formamide (CID 18610970) is N-[(1S)-1-cyanoethyl]formamide.
What is the SMILES notation for N-[(1S)-1-cyanoethyl]formamide?
The canonical SMILES for N-[(1S)-1-cyanoethyl]formamide is C[C@@H](C#N)NC=O.
What is the InChIKey of N-[(1S)-1-cyanoethyl]formamide?
The InChIKey is ONONIESHMTZAKB-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)/t4-/m0/s1.
What are the key properties of N-[(1S)-1-cyanoethyl]formamide?
N-[(1S)-1-cyanoethyl]formamide has a molecular weight of 98.10 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanoethyl]formamide is sourced from PubChem (CID 18610970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).