CID 59970835

C5H9NO — CID 59970835

IUPAC—
SMILES[CH]CC(=O)NCC
InChIInChI=1S/C5H9NO/c1-3-5(7)6-4-2/h1H,3-4H2,2H3,(H,6,7)
InChIKeyQUEWQSIHAGKMCL-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.22
Rot. Bonds2

About CID 59970835

CID 59970835 (PubChem CID 59970835) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol.

Molecular Properties

Compound NameCID 59970835
PubChem CID59970835
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name—
SMILES[CH]CC(=O)NCC
InChIInChI=1S/C5H9NO/c1-3-5(7)6-4-2/h1H,3-4H2,2H3,(H,6,7)
InChIKeyQUEWQSIHAGKMCL-UHFFFAOYSA-N
XLogP0.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-diethylpropanediamide
CID 4600245
acetylene;N-ethylpropanamide
CID 143477358
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
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CID 175477494
CID 175477494
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
N,N'-diethylnonanediamide
CID 89048639
2-chloro-N-ethylacetamide;hydrochloride
CID 141251564
sodium 2-(ethylamino)-2-oxoethanolate
CID 122705106
2-[2-(ethylamino)-2-oxoethoxy]-N-methylacetamide
CID 90077876
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
N-ethylpropanamide tetrafluoroborate
CID 88753462
N-ethyl-N'-(ethylaminomethyl)propanediamide
CID 20685111

Frequently Asked Questions

What is the IUPAC name of CID 59970835?
The IUPAC name of CID 59970835 (CID 59970835) is not available.
What is the SMILES notation for CID 59970835?
The canonical SMILES for CID 59970835 is [CH]CC(=O)NCC.
What is the InChIKey of CID 59970835?
The InChIKey is QUEWQSIHAGKMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h1H,3-4H2,2H3,(H,6,7).
What are the key properties of CID 59970835?
CID 59970835 has a molecular weight of 99.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59970835 is sourced from PubChem (CID 59970835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).