CID 59075972

C5H11N2O+ — CID 59075972

IUPAC—
SMILESCC(=O)NCCC[NH+]
InChIInChI=1S/C5H11N2O/c1-5(8)7-4-2-3-6/h6H,2-4H2,1H3,(H,7,8)/q+1
InChIKeySBOUVKOYTGOJDK-UHFFFAOYSA-N
MW115.16 g/mol
LogP-1.67
Rot. Bonds3

About CID 59075972

CID 59075972 (PubChem CID 59075972) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol.

Molecular Properties

Compound NameCID 59075972
PubChem CID59075972
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name—
SMILESCC(=O)NCCC[NH+]
InChIInChI=1S/C5H11N2O/c1-5(8)7-4-2-3-6/h6H,2-4H2,1H3,(H,7,8)/q+1
InChIKeySBOUVKOYTGOJDK-UHFFFAOYSA-N
XLogP-1.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 59075972 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
CID 138631206
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-butylacetamide;molecular hydrogen
CID 142252069
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
N-(8-oxononyl)acetamide
CID 58114719
N-[3-(2-ethoxyethoxy)propyl]acetamide
CID 129212456
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846

Frequently Asked Questions

What is the IUPAC name of CID 59075972?
The IUPAC name of CID 59075972 (CID 59075972) is not available.
What is the SMILES notation for CID 59075972?
The canonical SMILES for CID 59075972 is CC(=O)NCCC[NH+].
What is the InChIKey of CID 59075972?
The InChIKey is SBOUVKOYTGOJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O/c1-5(8)7-4-2-3-6/h6H,2-4H2,1H3,(H,7,8)/q+1.
What are the key properties of CID 59075972?
CID 59075972 has a molecular weight of 115.16 g/mol, XLogP of -1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59075972 is sourced from PubChem (CID 59075972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).