(4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide

C10H12FN3O — CID 155005463

IUPAC(4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide
SMILESC/C=C/C(F)=c1/[nH]cc(C(N)=O)/c1=C/N
InChIInChI=1S/C10H12FN3O/c1-2-3-8(11)9-6(4-12)7(5-14-9)10(13)15/h2-5,14H,12H2,1H3,(H2,13,15)/b3-2+,6-4-,9-8-
InChIKeyATCRBIUWGZXFII-WQUUMRPASA-N
MW209.22 g/mol
LogP-0.54
Rot. Bonds2

About (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide

(4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide (PubChem CID 155005463) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name(4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide
PubChem CID155005463
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide
SMILESC/C=C/C(F)=c1/[nH]cc(C(N)=O)/c1=C/N
InChIInChI=1S/C10H12FN3O/c1-2-3-8(11)9-6(4-12)7(5-14-9)10(13)15/h2-5,14H,12H2,1H3,(H2,13,15)/b3-2+,6-4-,9-8-
InChIKeyATCRBIUWGZXFII-WQUUMRPASA-N
XLogP-0.54
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide?
The IUPAC name of (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide (CID 155005463) is (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide?
The canonical SMILES for (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide is C/C=C/C(F)=c1/[nH]cc(C(N)=O)/c1=C/N.
What is the InChIKey of (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide?
The InChIKey is ATCRBIUWGZXFII-WQUUMRPASA-N. The full InChI is InChI=1S/C10H12FN3O/c1-2-3-8(11)9-6(4-12)7(5-14-9)10(13)15/h2-5,14H,12H2,1H3,(H2,13,15)/b3-2+,6-4-,9-8-.
What are the key properties of (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide?
(4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide has a molecular weight of 209.22 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-(aminomethylidene)-5-[(E)-1-fluorobut-2-enylidene]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 155005463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).