formic acid;(2R)-2-methylpyrrolidine

C6H13NO2 — CID 143602308

IUPACformic acid;(2R)-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1.O=CO
InChIInChI=1S/C5H11N.CH2O2/c1-5-3-2-4-6-5;2-1-3/h5-6H,2-4H2,1H3;1H,(H,2,3)/t5-;/m1./s1
InChIKeySXTCBDVAHYVIHK-NUBCRITNSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds

About formic acid;(2R)-2-methylpyrrolidine

formic acid;(2R)-2-methylpyrrolidine (PubChem CID 143602308) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is formic acid;(2R)-2-methylpyrrolidine.

Molecular Properties

Compound Nameformic acid;(2R)-2-methylpyrrolidine
PubChem CID143602308
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameformic acid;(2R)-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1.O=CO
InChIInChI=1S/C5H11N.CH2O2/c1-5-3-2-4-6-5;2-1-3/h5-6H,2-4H2,1H3;1H,(H,2,3)/t5-;/m1./s1
InChIKeySXTCBDVAHYVIHK-NUBCRITNSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-2-propylpyrrolidine;formic acid
CID 144847257
4,4-Difluoro-2-methylpyrrolidine;formic acid
CID 168239829
Formic acid;pyrrolidine
CID 66773011
1,2-Dimethylpyrrolidine;formic acid
CID 141964854
Ethane;formic acid;2-hexylpyrrolidine;methane
CID 141969116
Ethane;formic acid;methane;2-pyrrolidin-2-ylethanamine
CID 142059546
Formic acid;2-methylpiperidine
CID 142075195
methanol;(2R)-2-methylpyrrolidine
CID 142116165
Ethane;methyl formate;2-methylpyrrolidine;propane
CID 143024977
Methyl formate;2-methylpyrrolidine
CID 143025245
Methanol;2-methylpyrrolidine
CID 143067614
ethane;formic acid;(2R)-2-methylpyrrolidine
CID 143517093

Frequently Asked Questions

What is the IUPAC name of formic acid;(2R)-2-methylpyrrolidine?
The IUPAC name of formic acid;(2R)-2-methylpyrrolidine (CID 143602308) is formic acid;(2R)-2-methylpyrrolidine.
What is the SMILES notation for formic acid;(2R)-2-methylpyrrolidine?
The canonical SMILES for formic acid;(2R)-2-methylpyrrolidine is C[C@@H]1CCCN1.O=CO.
What is the InChIKey of formic acid;(2R)-2-methylpyrrolidine?
The InChIKey is SXTCBDVAHYVIHK-NUBCRITNSA-N. The full InChI is InChI=1S/C5H11N.CH2O2/c1-5-3-2-4-6-5;2-1-3/h5-6H,2-4H2,1H3;1H,(H,2,3)/t5-;/m1./s1.
What are the key properties of formic acid;(2R)-2-methylpyrrolidine?
formic acid;(2R)-2-methylpyrrolidine has a molecular weight of 131.18 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2R)-2-methylpyrrolidine is sourced from PubChem (CID 143602308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).