N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine

C8H9FN2 — CID 145149501

IUPACN-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
SMILESC=C1C=CN/C1=N\C=C(/C)F
InChIInChI=1S/C8H9FN2/c1-6-3-4-10-8(6)11-5-7(2)9/h3-5H,1H2,2H3,(H,10,11)/b7-5+
InChIKeyHPJULTLVSIAGBT-FNORWQNLSA-N
MW152.17 g/mol
LogP1.89
Rot. Bonds1

About N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine

N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine (PubChem CID 145149501) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine.

Molecular Properties

Compound NameN-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
PubChem CID145149501
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC NameN-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
SMILESC=C1C=CN/C1=N\C=C(/C)F
InChIInChI=1S/C8H9FN2/c1-6-3-4-10-8(6)11-5-7(2)9/h3-5H,1H2,2H3,(H,10,11)/b7-5+
InChIKeyHPJULTLVSIAGBT-FNORWQNLSA-N
XLogP1.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
(3Z)-3-ethylidene-N-(fluoromethyl)-1H-pyrrol-2-imine
CID 173891209
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
CID 90783163
4-Ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine
CID 123143968
N-ethenyl-1-methyl-3-methylidenepyrrol-2-imine
CID 123484804
(4Z)-N-ethenyl-4-ethylidene-2,3-dihydropyrrol-5-amine
CID 123900638
N-ethenyl-3-propan-2-ylidenepyrrol-2-amine
CID 129157578
3-methylidene-N-(2-methyliminoethenyl)pyrrol-2-amine
CID 132104391
(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 136437877
3-methylidene-N-[(Z)-prop-1-enyl]-1H-pyrrol-2-imine
CID 136504792
(3Z)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 137494238

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine?
The IUPAC name of N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine (CID 145149501) is N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine.
What is the SMILES notation for N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine?
The canonical SMILES for N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine is C=C1C=CN/C1=N\C=C(/C)F.
What is the InChIKey of N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine?
The InChIKey is HPJULTLVSIAGBT-FNORWQNLSA-N. The full InChI is InChI=1S/C8H9FN2/c1-6-3-4-10-8(6)11-5-7(2)9/h3-5H,1H2,2H3,(H,10,11)/b7-5+.
What are the key properties of N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine?
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine has a molecular weight of 152.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine is sourced from PubChem (CID 145149501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).