N-[1-(azanylidyne(113C)methyl)ethyl]formamide

C4H6N2O — CID 11007825

IUPACN-[1-(azanylidyne(113C)methyl)ethyl]formamide
SMILESCC([13C]#N)[15NH]C=O
InChIInChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)/i2+1,6+1
InChIKeyONONIESHMTZAKB-PYASWXJZSA-N
MW100.09 g/mol
LogP-0.36
Rot. Bonds2

About N-[1-(azanylidyne(113C)methyl)ethyl]formamide

N-[1-(azanylidyne(113C)methyl)ethyl]formamide (PubChem CID 11007825) has the molecular formula C4H6N2O and a molecular weight of 100.09 g/mol. Its IUPAC name is N-[1-(azanylidyne(113C)methyl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-(azanylidyne(113C)methyl)ethyl]formamide
PubChem CID11007825
Molecular FormulaC4H6N2O
Molecular Weight100.09 g/mol
Exact Mass100.05
IUPAC NameN-[1-(azanylidyne(113C)methyl)ethyl]formamide
SMILESCC([13C]#N)[15NH]C=O
InChIInChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)/i2+1,6+1
InChIKeyONONIESHMTZAKB-PYASWXJZSA-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 ≤ 500100.09
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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Related Compounds

N-(1-cyanopropyl)formamide
CID 19979685
2-(ethylamino)propanenitrile;N-methoxyformamide
CID 23311295
acetaldehyde;cyanic acid;2-methylpropane
CID 142596077
N-(4-phenylbut-3-yn-2-yl)formamide
CID 15188374
N-(4-formamidopentan-2-yl)formamide
CID 174912100
1-cyanoethylurea
CID 61124202
N-[cyano(diethoxyphosphoryl)methyl]formamide
CID 15470141
N-(1-amino-2-methylpropyl)formamide
CID 74218484
N-[(2S)-butan-2-yl]formamide
CID 55285287
(2S)-2-(methoxyamino)propanenitrile
CID 88713172
acetonitrile;2-methylpropanal
CID 174939859
N-(3-cyano-1-formamidopropyl)formamide
CID 57216094

Frequently Asked Questions

What is the IUPAC name of N-[1-(azanylidyne(113C)methyl)ethyl]formamide?
The IUPAC name of N-[1-(azanylidyne(113C)methyl)ethyl]formamide (CID 11007825) is N-[1-(azanylidyne(113C)methyl)ethyl]formamide.
What is the SMILES notation for N-[1-(azanylidyne(113C)methyl)ethyl]formamide?
The canonical SMILES for N-[1-(azanylidyne(113C)methyl)ethyl]formamide is CC([13C]#N)[15NH]C=O.
What is the InChIKey of N-[1-(azanylidyne(113C)methyl)ethyl]formamide?
The InChIKey is ONONIESHMTZAKB-PYASWXJZSA-N. The full InChI is InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h3-4H,1H3,(H,6,7)/i2+1,6+1.
What are the key properties of N-[1-(azanylidyne(113C)methyl)ethyl]formamide?
N-[1-(azanylidyne(113C)methyl)ethyl]formamide has a molecular weight of 100.09 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-[1-(azanylidyne(113C)methyl)ethyl]formamide is sourced from PubChem (CID 11007825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).