[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone

C14H20N2O2 — CID 21177985

IUPAC[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESC=C1C(C(=O)N2CCCC2)[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-11(13(17)15-6-2-3-7-15)12(10)14(18)16-8-4-5-9-16/h11-12H,1-9H2/t11-,12?/m0/s1
InChIKeyJAQUHTCGRHRXJN-PXYINDEMSA-N
MW248.33 g/mol
LogP1.03
Rot. Bonds2

About [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone

[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 21177985) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID21177985
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESC=C1C(C(=O)N2CCCC2)[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C14H20N2O2/c1-10-11(13(17)15-6-2-3-7-15)12(10)14(18)16-8-4-5-9-16/h11-12H,1-9H2/t11-,12?/m0/s1
InChIKeyJAQUHTCGRHRXJN-PXYINDEMSA-N
XLogP1.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylidenecyclohexyl)-piperidin-1-ylmethanone
CID 90711558
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
aziridin-1-yl-(4-methylidenecyclohexyl)methanone
CID 91507558
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
[(2R)-2-fluorocyclopropyl]-pyrrolidin-1-ylmethanone
CID 139324368
[(1S,2S)-2-ethenylcyclopropyl]-pyrrolidin-1-ylmethanone
CID 143898031
pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474044
(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
CID 15864838

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone (CID 21177985) is [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone is C=C1C(C(=O)N2CCCC2)[C@H]1C(=O)N1CCCC1.
What is the InChIKey of [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is JAQUHTCGRHRXJN-PXYINDEMSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-11(13(17)15-6-2-3-7-15)12(10)14(18)16-8-4-5-9-16/h11-12H,1-9H2/t11-,12?/m0/s1.
What are the key properties of [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
[(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-methylidene-3-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 21177985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).