N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide

C8H13FN2O — CID 144516892

IUPACN-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N[C@H]1CCC[C@H]1N
InChIInChI=1S/C8H13FN2O/c1-5(9)8(12)11-7-4-2-3-6(7)10/h6-7H,1-4,10H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyLXMSCMPDNZHLDJ-RQJHMYQMSA-N
MW172.20 g/mol
LogP0.47
Rot. Bonds2

About N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide

N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide (PubChem CID 144516892) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide
PubChem CID144516892
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC NameN-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)N[C@H]1CCC[C@H]1N
InChIInChI=1S/C8H13FN2O/c1-5(9)8(12)11-7-4-2-3-6(7)10/h6-7H,1-4,10H2,(H,11,12)/t6-,7+/m1/s1
InChIKeyLXMSCMPDNZHLDJ-RQJHMYQMSA-N
XLogP0.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
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-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide (CID 144516892) is N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide is C=C(F)C(=O)N[C@H]1CCC[C@H]1N.
What is the InChIKey of N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide?
The InChIKey is LXMSCMPDNZHLDJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5(9)8(12)11-7-4-2-3-6(7)10/h6-7H,1-4,10H2,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide?
N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide has a molecular weight of 172.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-aminocyclopentyl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 144516892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).