methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate

C10H17NO2 — CID 163446340

IUPACmethyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate
SMILESC=CC[C@H]1CNC[C@@]1(C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-4-5-8-6-11-7-10(8,2)9(12)13-3/h4,8,11H,1,5-7H2,2-3H3/t8-,10+/m0/s1
InChIKeyBCVVOCYZAULFNP-WCBMZHEXSA-N
MW183.25 g/mol
LogP0.96
Rot. Bonds3

About methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate

methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate (PubChem CID 163446340) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate
PubChem CID163446340
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate
SMILESC=CC[C@H]1CNC[C@@]1(C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-4-5-8-6-11-7-10(8,2)9(12)13-3/h4,8,11H,1,5-7H2,2-3H3/t8-,10+/m0/s1
InChIKeyBCVVOCYZAULFNP-WCBMZHEXSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-(prop-2-en-1-yl)pyrrolidine-3-carboxylate
CID 137951788
Methyl 3-(prop-2-en-1-yl)pyrrolidine-3-carboxylate
CID 89017875
Methyl 4-ethenylpyrrolidine-3-carboxylate
CID 13896413
Methyl 4-tert-butyl-1-prop-2-enylpyrrolidine-3-carboxylate
CID 18388389
methyl (3S,4R)-4-tert-butyl-1-prop-2-enylpyrrolidine-3-carboxylate
CID 59923136
Ethyl 4-prop-2-enylpyrrolidine-3-carboxylate
CID 69867648
Methyl 1,2,3,4,5,7a-hexahydroisoindole-3a-carboxylate
CID 141000664
methyl 1-ethylidene-3,4,5,7a-tetrahydro-2H-isoindole-3a-carboxylate
CID 141000671
tert-butyl (3S)-4-ethenyl-2,2-dimethylpyrrolidine-3-carboxylate
CID 141253186
ethyl (4S)-4-(4,4-dimethylcyclohepta-2,5-dien-1-yl)pyrrolidine-3-carboxylate
CID 144042106
methyl (3S,4R)-1,3-dimethyl-4-prop-2-enylpyrrolidine-3-carboxylate
CID 163595838
Methyl 1,3-dimethyl-4-prop-2-enylpyrrolidine-3-carboxylate
CID 163595839

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate (CID 163446340) is methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate is C=CC[C@H]1CNC[C@@]1(C)C(=O)OC.
What is the InChIKey of methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate?
The InChIKey is BCVVOCYZAULFNP-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-5-8-6-11-7-10(8,2)9(12)13-3/h4,8,11H,1,5-7H2,2-3H3/t8-,10+/m0/s1.
What are the key properties of methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate?
methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate is sourced from PubChem (CID 163446340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).