(3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine

C12H20FN3 — CID 178081171

IUPAC(3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine
SMILESC/C=C1/C=CN=C1N.CN1CCCC(F)C1
InChIInChI=1S/C6H12FN.C6H8N2/c1-8-4-2-3-6(7)5-8;1-2-5-3-4-8-6(5)7/h6H,2-5H2,1H3;2-4H,1H3,(H2,7,8)/b;5-2-
InChIKeyUFSPMCHIYXZOQH-HKMNGLQQSA-N
MW225.31 g/mol
LogP1.87
Rot. Bonds

About (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine

(3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine (PubChem CID 178081171) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name(3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine
PubChem CID178081171
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name(3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine
SMILESC/C=C1/C=CN=C1N.CN1CCCC(F)C1
InChIInChI=1S/C6H12FN.C6H8N2/c1-8-4-2-3-6(7)5-8;1-2-5-3-4-8-6(5)7/h6H,2-5H2,1H3;2-4H,1H3,(H2,7,8)/b;5-2-
InChIKeyUFSPMCHIYXZOQH-HKMNGLQQSA-N
XLogP1.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-ethylidene-1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]pyrrol-2-imine
CID 178081162

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine?
The IUPAC name of (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine (CID 178081171) is (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine.
What is the SMILES notation for (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine?
The canonical SMILES for (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine is C/C=C1/C=CN=C1N.CN1CCCC(F)C1.
What is the InChIKey of (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine?
The InChIKey is UFSPMCHIYXZOQH-HKMNGLQQSA-N. The full InChI is InChI=1S/C6H12FN.C6H8N2/c1-8-4-2-3-6(7)5-8;1-2-5-3-4-8-6(5)7/h6H,2-5H2,1H3;2-4H,1H3,(H2,7,8)/b;5-2-.
What are the key properties of (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine?
(3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine has a molecular weight of 225.31 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidenepyrrol-2-amine;3-fluoro-1-methylpiperidine is sourced from PubChem (CID 178081171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).