formic acid;1-pyrrolidin-1-ylpropan-1-one

C8H15NO3 — CID 142278991

IUPACformic acid;1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H13NO.CH2O2/c1-2-7(9)8-5-3-4-6-8;2-1-3/h2-6H2,1H3;1H,(H,2,3)
InChIKeySLEMAASGCMCROY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.72
Rot. Bonds1

About formic acid;1-pyrrolidin-1-ylpropan-1-one

formic acid;1-pyrrolidin-1-ylpropan-1-one (PubChem CID 142278991) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is formic acid;1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Nameformic acid;1-pyrrolidin-1-ylpropan-1-one
PubChem CID142278991
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameformic acid;1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C7H13NO.CH2O2/c1-2-7(9)8-5-3-4-6-8;2-1-3/h2-6H2,1H3;1H,(H,2,3)
InChIKeySLEMAASGCMCROY-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formic acid;1-pyrrolidin-1-ylpropan-1-one 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

1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534
ethene;1-pyrrolidin-1-ylpropan-1-one
CID 158024233
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
ethane;formic acid;2-(methylamino)-1-pyrrolidin-1-ylethanone;propane
CID 144680009
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
1-(4-propanoyl-1,4-diazepan-1-yl)butane-1,3-dione
CID 54916137
2-methyl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 61072901
1-propanoylazepan-4-one
CID 18675736

Frequently Asked Questions

What is the IUPAC name of formic acid;1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of formic acid;1-pyrrolidin-1-ylpropan-1-one (CID 142278991) is formic acid;1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for formic acid;1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for formic acid;1-pyrrolidin-1-ylpropan-1-one is CCC(=O)N1CCCC1.O=CO.
What is the InChIKey of formic acid;1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SLEMAASGCMCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.CH2O2/c1-2-7(9)8-5-3-4-6-8;2-1-3/h2-6H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;1-pyrrolidin-1-ylpropan-1-one?
formic acid;1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 173.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 142278991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).