(2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone

C12H18FNO — CID 91216241

IUPAC(2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
SMILESC=C1CCC(C(=O)N2CCCC2)C(F)C1
InChIInChI=1S/C12H18FNO/c1-9-4-5-10(11(13)8-9)12(15)14-6-2-3-7-14/h10-11H,1-8H2
InChIKeyJRZKDHZCKJJSQC-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.30
Rot. Bonds1

About (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone

(2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone (PubChem CID 91216241) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
PubChem CID91216241
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone
SMILESC=C1CCC(C(=O)N2CCCC2)C(F)C1
InChIInChI=1S/C12H18FNO/c1-9-4-5-10(11(13)8-9)12(15)14-6-2-3-7-14/h10-11H,1-8H2
InChIKeyJRZKDHZCKJJSQC-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone (CID 91216241) is (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone is C=C1CCC(C(=O)N2CCCC2)C(F)C1.
What is the InChIKey of (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
The InChIKey is JRZKDHZCKJJSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-4-5-10(11(13)8-9)12(15)14-6-2-3-7-14/h10-11H,1-8H2.
What are the key properties of (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone?
(2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone has a molecular weight of 211.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylidenecyclohexyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91216241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).