CID 87057822

C3H8KN2O — CID 87057822

IUPAC—
SMILESNCCC(N)=O.[K]
InChIInChI=1S/C3H8N2O.K/c4-2-1-3(5)6;/h1-2,4H2,(H2,5,6);
InChIKeyBRYKLWOWBNTKGX-UHFFFAOYSA-N
MW127.21 g/mol
LogP-1.56
Rot. Bonds2

About CID 87057822

CID 87057822 (PubChem CID 87057822) has the molecular formula C3H8KN2O and a molecular weight of 127.21 g/mol.

Molecular Properties

Compound NameCID 87057822
PubChem CID87057822
Molecular FormulaC3H8KN2O
Molecular Weight127.21 g/mol
Exact Mass127.03
IUPAC Name—
SMILESNCCC(N)=O.[K]
InChIInChI=1S/C3H8N2O.K/c4-2-1-3(5)6;/h1-2,4H2,(H2,5,6);
InChIKeyBRYKLWOWBNTKGX-UHFFFAOYSA-N
XLogP-1.56
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-aminopropanamide;2-bromoacetamide;methanamine
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16-aminohexadecanamide
CID 86033165
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
5-aminopentanamide;ethane
CID 145257040
hexanediamide;hydrazine
CID 160978463
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
hexanediamide;hydrazine
CID 160854105
2-[2-(2-aminoethoxy)ethoxy]ethanamine;butanediamide
CID 87072841

Frequently Asked Questions

What is the IUPAC name of CID 87057822?
The IUPAC name of CID 87057822 (CID 87057822) is not available.
What is the SMILES notation for CID 87057822?
The canonical SMILES for CID 87057822 is NCCC(N)=O.[K].
What is the InChIKey of CID 87057822?
The InChIKey is BRYKLWOWBNTKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O.K/c4-2-1-3(5)6;/h1-2,4H2,(H2,5,6);.
What are the key properties of CID 87057822?
CID 87057822 has a molecular weight of 127.21 g/mol, XLogP of -1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87057822 is sourced from PubChem (CID 87057822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).