N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide

C9H15FN2O — CID 170193846

IUPACN-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)NC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H15FN2O/c1-7(10)11-8(13)12-5-4-9(6-12)2-3-9/h7H,2-6H2,1H3,(H,11,13)/t7-/m1/s1
InChIKeyVJHGCJUOPSYZQG-SSDOTTSWSA-N
MW186.23 g/mol
LogP1.50
Rot. Bonds1

About N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide

N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 170193846) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID170193846
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESC[C@H](F)NC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H15FN2O/c1-7(10)11-8(13)12-5-4-9(6-12)2-3-9/h7H,2-6H2,1H3,(H,11,13)/t7-/m1/s1
InChIKeyVJHGCJUOPSYZQG-SSDOTTSWSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 130306506
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026
N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 134510563
N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-2-azaspiro[4.6]undecane-2-carboxamide
CID 126427038
N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 135200114
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
CID 114279424
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 170193846) is N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide is C[C@H](F)NC(=O)N1CCC2(CC2)C1.
What is the InChIKey of N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is VJHGCJUOPSYZQG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7(10)11-8(13)12-5-4-9(6-12)2-3-9/h7H,2-6H2,1H3,(H,11,13)/t7-/m1/s1.
What are the key properties of N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide?
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 170193846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).