1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone

C11H17NO — CID 156858438

IUPAC1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone
SMILESC=CC(=C)C[C@@]1(C(C)=O)CCCN1
InChIInChI=1S/C11H17NO/c1-4-9(2)8-11(10(3)13)6-5-7-12-11/h4,12H,1-2,5-8H2,3H3/t11-/m1/s1
InChIKeyFNHWQMRXJDZFSS-LLVKDONJSA-N
MW179.26 g/mol
LogP1.83
Rot. Bonds4

About 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone

1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone (PubChem CID 156858438) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone
PubChem CID156858438
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone
SMILESC=CC(=C)C[C@@]1(C(C)=O)CCCN1
InChIInChI=1S/C11H17NO/c1-4-9(2)8-11(10(3)13)6-5-7-12-11/h4,12H,1-2,5-8H2,3H3/t11-/m1/s1
InChIKeyFNHWQMRXJDZFSS-LLVKDONJSA-N
XLogP1.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone (CID 156858438) is 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone is C=CC(=C)C[C@@]1(C(C)=O)CCCN1.
What is the InChIKey of 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone?
The InChIKey is FNHWQMRXJDZFSS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9(2)8-11(10(3)13)6-5-7-12-11/h4,12H,1-2,5-8H2,3H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone?
1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methylidenebut-3-enyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 156858438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).