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

C12H21FN2O — CID 144516889

IUPAC(E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide
SMILESCCCC/C=C(/F)C(=O)N[C@H]1CCC[C@H]1N
InChIInChI=1S/C12H21FN2O/c1-2-3-4-6-9(13)12(16)15-11-8-5-7-10(11)14/h6,10-11H,2-5,7-8,14H2,1H3,(H,15,16)/b9-6+/t10-,11+/m1/s1
InChIKeyZITPSJVWMSCZBQ-FSZCPTMNSA-N
MW228.31 g/mol
LogP2.03
Rot. Bonds5

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

(E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide (PubChem CID 144516889) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide
PubChem CID144516889
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name(E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide
SMILESCCCC/C=C(/F)C(=O)N[C@H]1CCC[C@H]1N
InChIInChI=1S/C12H21FN2O/c1-2-3-4-6-9(13)12(16)15-11-8-5-7-10(11)14/h6,10-11H,2-5,7-8,14H2,1H3,(H,15,16)/b9-6+/t10-,11+/m1/s1
InChIKeyZITPSJVWMSCZBQ-FSZCPTMNSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-N-[(1R,2S)-2-[[(E)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71244459
(Z)-2-fluoro-N-[(1S,2R)-2-[[(Z)-2-fluorotetradec-2-enoyl]amino]cyclopentyl]tetradec-2-enamide
CID 71511743
2-fluoro-N-[2-(2-fluoroundec-2-enoylamino)cyclopentyl]undec-2-enamide
CID 123180887
2-fluoro-N-[2-(2-fluorodec-2-enoylamino)cyclopentyl]dec-2-enamide
CID 123230567
2-fluoro-N-[(1S,2R)-2-(2-fluorotetradec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123263047
2-fluoro-N-(3-formamidocyclopentyl)hept-2-enamide
CID 123469268
2-fluoro-N-[2-(2-fluorooct-2-enoylamino)cyclopentyl]non-2-enamide
CID 123525255
2-fluoro-N-[3-(2-fluoropent-2-enoylamino)cyclopentyl]hex-2-enamide
CID 123566362
2-fluoro-N-[2-(2-fluorobut-2-enoylamino)cyclopentyl]non-2-enamide
CID 123720783
2-fluoro-N-[2-(2-fluorohex-2-enoylamino)cyclopentyl]hex-2-enamide
CID 123759140
2-fluoro-N-[2-(2-fluorododec-2-enoylamino)cyclopentyl]tetradec-2-enamide
CID 123764780
2-fluoro-N-[2-(2-fluoronon-2-enoylamino)cyclopentyl]non-2-enamide
CID 123915270

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide?
The IUPAC name of (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide (CID 144516889) is (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide.
What is the SMILES notation for (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide?
The canonical SMILES for (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide is CCCC/C=C(/F)C(=O)N[C@H]1CCC[C@H]1N.
What is the InChIKey of (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide?
The InChIKey is ZITPSJVWMSCZBQ-FSZCPTMNSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-2-3-4-6-9(13)12(16)15-11-8-5-7-10(11)14/h6,10-11H,2-5,7-8,14H2,1H3,(H,15,16)/b9-6+/t10-,11+/m1/s1.
What are the key properties of (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide?
(E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide has a molecular weight of 228.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,2R)-2-aminocyclopentyl]-2-fluorohept-2-enamide is sourced from PubChem (CID 144516889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).