formic acid;1-pyrrolidin-1-ylpentan-1-one

C10H19NO3 — CID 168981731

IUPACformic acid;1-pyrrolidin-1-ylpentan-1-one
SMILESCCCCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C9H17NO.CH2O2/c1-2-3-6-9(11)10-7-4-5-8-10;2-1-3/h2-8H2,1H3;1H,(H,2,3)
InChIKeyBFQUCXCWFLOEEM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.50
Rot. Bonds3

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

formic acid;1-pyrrolidin-1-ylpentan-1-one (PubChem CID 168981731) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is formic acid;1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Nameformic acid;1-pyrrolidin-1-ylpentan-1-one
PubChem CID168981731
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameformic acid;1-pyrrolidin-1-ylpentan-1-one
SMILESCCCCC(=O)N1CCCC1.O=CO
InChIInChI=1S/C9H17NO.CH2O2/c1-2-3-6-9(11)10-7-4-5-8-10;2-1-3/h2-8H2,1H3;1H,(H,2,3)
InChIKeyBFQUCXCWFLOEEM-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of formic acid;1-pyrrolidin-1-ylpentan-1-one (CID 168981731) is formic acid;1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for formic acid;1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for formic acid;1-pyrrolidin-1-ylpentan-1-one is CCCCC(=O)N1CCCC1.O=CO.
What is the InChIKey of formic acid;1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is BFQUCXCWFLOEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.CH2O2/c1-2-3-6-9(11)10-7-4-5-8-10;2-1-3/h2-8H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;1-pyrrolidin-1-ylpentan-1-one?
formic acid;1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 201.27 g/mol, XLogP of 1.50, 3 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-ylpentan-1-one is sourced from PubChem (CID 168981731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).