[(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate

C7H11NO2 — CID 89087542

IUPAC[(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate
SMILESC=C1C[C@H](C)[C@@H](OC=O)N1
InChIInChI=1S/C7H11NO2/c1-5-3-6(2)8-7(5)10-4-9/h4-5,7-8H,2-3H2,1H3/t5-,7+/m0/s1
InChIKeyLHMHLKGXBSNBEI-CAHLUQPWSA-N
MW141.17 g/mol
LogP0.63
Rot. Bonds2

About [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate

[(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate (PubChem CID 89087542) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate
PubChem CID89087542
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name[(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate
SMILESC=C1C[C@H](C)[C@@H](OC=O)N1
InChIInChI=1S/C7H11NO2/c1-5-3-6(2)8-7(5)10-4-9/h4-5,7-8H,2-3H2,1H3/t5-,7+/m0/s1
InChIKeyLHMHLKGXBSNBEI-CAHLUQPWSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-methylcyclohexyl] formate
CID 18611348
4,5-dimethyl-2-methylidenepiperidine
CID 142187798
[(5S,9S)-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-1-enyl] formate
CID 154735097
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
CID 142164429
5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
[(1R,2S,5R)-2-methyl-5-propan-2-ylcyclohexyl] formate
CID 87491817
(3-formyloxy-5-methyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 89063658
(2-oxocyclobutyl) formate
CID 173437285
4-methyl-2-methylidenepiperidine
CID 75088782
(2-methylcyclopropyl)methyl formate
CID 89103941
(3-methylpiperidin-4-yl)methyl formate
CID 146493499
(6-methyl-2-bicyclo[2.2.1]heptanyl) formate
CID 87830815

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate?
The IUPAC name of [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate (CID 89087542) is [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate.
What is the SMILES notation for [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate?
The canonical SMILES for [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate is C=C1C[C@H](C)[C@@H](OC=O)N1.
What is the InChIKey of [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate?
The InChIKey is LHMHLKGXBSNBEI-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-6(2)8-7(5)10-4-9/h4-5,7-8H,2-3H2,1H3/t5-,7+/m0/s1.
What are the key properties of [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate?
[(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate has a molecular weight of 141.17 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-methyl-5-methylidenepyrrolidin-2-yl] formate is sourced from PubChem (CID 89087542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).