(1-methylpyrrolidin-2-yl)methyl formate

C7H13NO2 — CID 54245188

IUPAC(1-methylpyrrolidin-2-yl)methyl formate
SMILESCN1CCCC1COC=O
InChIInChI=1S/C7H13NO2/c1-8-4-2-3-7(8)5-10-6-9/h6-7H,2-5H2,1H3
InChIKeyBHPHRXRMZCXCGE-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds3

About (1-methylpyrrolidin-2-yl)methyl formate

(1-methylpyrrolidin-2-yl)methyl formate (PubChem CID 54245188) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl formate.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl formate
PubChem CID54245188
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(1-methylpyrrolidin-2-yl)methyl formate
SMILESCN1CCCC1COC=O
InChIInChI=1S/C7H13NO2/c1-8-4-2-3-7(8)5-10-6-9/h6-7H,2-5H2,1H3
InChIKeyBHPHRXRMZCXCGE-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
(Z)-N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 11275136
N-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]ethanimine
CID 70691335
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
CID 89327718
1-methyl-2-(nitrosomethyl)pyrrolidine
CID 142961038
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743
2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]ethanamine
CID 54091404
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methyl formate?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl formate (CID 54245188) is (1-methylpyrrolidin-2-yl)methyl formate.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl formate?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl formate is CN1CCCC1COC=O.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl formate?
The InChIKey is BHPHRXRMZCXCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-4-2-3-7(8)5-10-6-9/h6-7H,2-5H2,1H3.
What are the key properties of (1-methylpyrrolidin-2-yl)methyl formate?
(1-methylpyrrolidin-2-yl)methyl formate has a molecular weight of 143.19 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methyl formate is sourced from PubChem (CID 54245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).