(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide

C6H11FN4O2 — CID 90180646

IUPAC(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide
SMILESNNC(=O)[C@@H]1C[C@H](F)CN1C(N)=O
InChIInChI=1S/C6H11FN4O2/c7-3-1-4(5(12)10-9)11(2-3)6(8)13/h3-4H,1-2,9H2,(H2,8,13)(H,10,12)/t3-,4-/m0/s1
InChIKeyBHLJYTDXMBSKGN-IMJSIDKUSA-N
MW190.18 g/mol
LogP-1.53
Rot. Bonds1

About (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide

(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide (PubChem CID 90180646) has the molecular formula C6H11FN4O2 and a molecular weight of 190.18 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide
PubChem CID90180646
Molecular FormulaC6H11FN4O2
Molecular Weight190.18 g/mol
Exact Mass190.09
IUPAC Name(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide
SMILESNNC(=O)[C@@H]1C[C@H](F)CN1C(N)=O
InChIInChI=1S/C6H11FN4O2/c7-3-1-4(5(12)10-9)11(2-3)6(8)13/h3-4H,1-2,9H2,(H2,8,13)(H,10,12)/t3-,4-/m0/s1
InChIKeyBHLJYTDXMBSKGN-IMJSIDKUSA-N
XLogP-1.53
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide (CID 90180646) is (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide is NNC(=O)[C@@H]1C[C@H](F)CN1C(N)=O.
What is the InChIKey of (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide?
The InChIKey is BHLJYTDXMBSKGN-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H11FN4O2/c7-3-1-4(5(12)10-9)11(2-3)6(8)13/h3-4H,1-2,9H2,(H2,8,13)(H,10,12)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide?
(2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide has a molecular weight of 190.18 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 90180646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).