cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone

C13H21NO — CID 139497897

IUPACcyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone
SMILESC=CC[C@]1(C)CCNC1C(=O)C1CCC1
InChIInChI=1S/C13H21NO/c1-3-7-13(2)8-9-14-12(13)11(15)10-5-4-6-10/h3,10,12,14H,1,4-9H2,2H3/t12?,13-/m1/s1
InChIKeyJEAOMDWZLGACMA-ZGTCLIOFSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds4

About cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone

cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone (PubChem CID 139497897) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone
PubChem CID139497897
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone
SMILESC=CC[C@]1(C)CCNC1C(=O)C1CCC1
InChIInChI=1S/C13H21NO/c1-3-7-13(2)8-9-14-12(13)11(15)10-5-4-6-10/h3,10,12,14H,1,4-9H2,2H3/t12?,13-/m1/s1
InChIKeyJEAOMDWZLGACMA-ZGTCLIOFSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone (CID 139497897) is cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone is C=CC[C@]1(C)CCNC1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone?
The InChIKey is JEAOMDWZLGACMA-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-7-13(2)8-9-14-12(13)11(15)10-5-4-6-10/h3,10,12,14H,1,4-9H2,2H3/t12?,13-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone?
cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone has a molecular weight of 207.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 139497897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).