formic acid;1-propan-2-ylpyrrolidine

C8H17NO2 — CID 162750581

IUPACformic acid;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.O=CO
InChIInChI=1S/C7H15N.CH2O2/c1-7(2)8-5-3-4-6-8;2-1-3/h7H,3-6H2,1-2H3;1H,(H,2,3)
InChIKeyCGVRLZKIMTUYPC-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.19
Rot. Bonds1

About formic acid;1-propan-2-ylpyrrolidine

formic acid;1-propan-2-ylpyrrolidine (PubChem CID 162750581) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is formic acid;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameformic acid;1-propan-2-ylpyrrolidine
PubChem CID162750581
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameformic acid;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.O=CO
InChIInChI=1S/C7H15N.CH2O2/c1-7(2)8-5-3-4-6-8;2-1-3/h7H,3-6H2,1-2H3;1H,(H,2,3)
InChIKeyCGVRLZKIMTUYPC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
ethane;1-propan-2-ylpyrrolidine
CID 167557798
N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
CID 162750414
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
CID 177325455
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
ethene;1-propan-2-ylpiperidine
CID 177325228
4-propan-2-yl-1,4-diazepane-1-carbaldehyde
CID 87764611
methoxymethane;1-propan-2-ylpiperidine
CID 153352735

Frequently Asked Questions

What is the IUPAC name of formic acid;1-propan-2-ylpyrrolidine?
The IUPAC name of formic acid;1-propan-2-ylpyrrolidine (CID 162750581) is formic acid;1-propan-2-ylpyrrolidine.
What is the SMILES notation for formic acid;1-propan-2-ylpyrrolidine?
The canonical SMILES for formic acid;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.O=CO.
What is the InChIKey of formic acid;1-propan-2-ylpyrrolidine?
The InChIKey is CGVRLZKIMTUYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH2O2/c1-7(2)8-5-3-4-6-8;2-1-3/h7H,3-6H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-propan-2-ylpyrrolidine?
formic acid;1-propan-2-ylpyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 162750581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).