3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine

C7H10FN3 — CID 137060553

IUPAC3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine
SMILES[H]/N=C(\C)c1c(F)c[nH]c1NC
InChIInChI=1S/C7H10FN3/c1-4(9)6-5(8)3-11-7(6)10-2/h3,9-11H,1-2H3/b9-4+
InChIKeyPCWCVWWSMSWXDN-RUDMXATFSA-N
MW155.18 g/mol
LogP1.58
Rot. Bonds2

About 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine

3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine (PubChem CID 137060553) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine
PubChem CID137060553
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine
SMILES[H]/N=C(\C)c1c(F)c[nH]c1NC
InChIInChI=1S/C7H10FN3/c1-4(9)6-5(8)3-11-7(6)10-2/h3,9-11H,1-2H3/b9-4+
InChIKeyPCWCVWWSMSWXDN-RUDMXATFSA-N
XLogP1.58
TPSA51.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine?
The IUPAC name of 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine (CID 137060553) is 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine?
The canonical SMILES for 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine is [H]/N=C(\C)c1c(F)c[nH]c1NC.
What is the InChIKey of 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine?
The InChIKey is PCWCVWWSMSWXDN-RUDMXATFSA-N. The full InChI is InChI=1S/C7H10FN3/c1-4(9)6-5(8)3-11-7(6)10-2/h3,9-11H,1-2H3/b9-4+.
What are the key properties of 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine?
3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine has a molecular weight of 155.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanimidoyl-4-fluoro-N-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 137060553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).