(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine

C14H15ClN4O — CID 167023427

IUPAC(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine
SMILESC=C/N=C/C(=C(\N)OC)c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C14H15ClN4O/c1-4-17-7-10(14(16)20-3)11-5-9-6-13(15)18-8-12(9)19(11)2/h4-8H,1,16H2,2-3H3/b14-10-,17-7+
InChIKeyVIPDJKQACYSPDL-UMSIQNIJSA-N
MW290.75 g/mol
LogP2.71
Rot. Bonds4

About (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine

(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine (PubChem CID 167023427) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine
PubChem CID167023427
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine
SMILESC=C/N=C/C(=C(\N)OC)c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C14H15ClN4O/c1-4-17-7-10(14(16)20-3)11-5-9-6-13(15)18-8-12(9)19(11)2/h4-8H,1,16H2,2-3H3/b14-10-,17-7+
InChIKeyVIPDJKQACYSPDL-UMSIQNIJSA-N
XLogP2.71
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine?
The IUPAC name of (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine (CID 167023427) is (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine?
The canonical SMILES for (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine is C=C/N=C/C(=C(\N)OC)c1cc2cc(Cl)ncc2n1C.
What is the InChIKey of (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine?
The InChIKey is VIPDJKQACYSPDL-UMSIQNIJSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-4-17-7-10(14(16)20-3)11-5-9-6-13(15)18-8-12(9)19(11)2/h4-8H,1,16H2,2-3H3/b14-10-,17-7+.
What are the key properties of (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine?
(E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine has a molecular weight of 290.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-3-ethenylimino-1-methoxyprop-1-en-1-amine is sourced from PubChem (CID 167023427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).