N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide

C11H19FN2O — CID 146367147

IUPACN-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)(C)C)CC1F
InChIInChI=1S/C11H19FN2O/c1-5-10(15)13-9-7-14(6-8(9)12)11(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)
InChIKeyDRAKXAXGYOQQCY-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.11
Rot. Bonds2

About N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide

N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide (PubChem CID 146367147) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide
PubChem CID146367147
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC NameN-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)(C)C)CC1F
InChIInChI=1S/C11H19FN2O/c1-5-10(15)13-9-7-14(6-8(9)12)11(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)
InChIKeyDRAKXAXGYOQQCY-UHFFFAOYSA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide (CID 146367147) is N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide is C=CC(=O)NC1CN(C(C)(C)C)CC1F.
What is the InChIKey of N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide?
The InChIKey is DRAKXAXGYOQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-5-10(15)13-9-7-14(6-8(9)12)11(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15).
What are the key properties of N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide?
N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide has a molecular weight of 214.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-fluoropyrrolidin-3-yl)prop-2-enamide is sourced from PubChem (CID 146367147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).