(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine

C12H17N3 — CID 139317025

IUPAC(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine
SMILESC=C/N=C1C(=C\C)/C2=C(CCNC2)N/1C
InChIInChI=1S/C12H17N3/c1-4-9-10-8-13-7-6-11(10)15(3)12(9)14-5-2/h4-5,13H,2,6-8H2,1,3H3/b9-4-,14-12-
InChIKeyPCYLKUQVRWDDGD-VUFLTYHISA-N
MW203.29 g/mol
LogP1.67
Rot. Bonds1

About (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine

(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine (PubChem CID 139317025) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine.

Molecular Properties

Compound Name(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine
PubChem CID139317025
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine
SMILESC=C/N=C1C(=C\C)/C2=C(CCNC2)N/1C
InChIInChI=1S/C12H17N3/c1-4-9-10-8-13-7-6-11(10)15(3)12(9)14-5-2/h4-5,13H,2,6-8H2,1,3H3/b9-4-,14-12-
InChIKeyPCYLKUQVRWDDGD-VUFLTYHISA-N
XLogP1.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine?
The IUPAC name of (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine (CID 139317025) is (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine.
What is the SMILES notation for (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine?
The canonical SMILES for (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine is C=C/N=C1C(=C\C)/C2=C(CCNC2)N/1C.
What is the InChIKey of (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine?
The InChIKey is PCYLKUQVRWDDGD-VUFLTYHISA-N. The full InChI is InChI=1S/C12H17N3/c1-4-9-10-8-13-7-6-11(10)15(3)12(9)14-5-2/h4-5,13H,2,6-8H2,1,3H3/b9-4-,14-12-.
What are the key properties of (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine?
(3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine has a molecular weight of 203.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethenyl-3-ethylidene-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-imine is sourced from PubChem (CID 139317025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).