N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine

C12H13N3 — CID 142955060

IUPACN-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine
SMILESC=N/C=c1\c(=C/C)n(C)c2ccncc12
InChIInChI=1S/C12H13N3/c1-4-11-9(7-13-2)10-8-14-6-5-12(10)15(11)3/h4-8H,2H2,1,3H3/b9-7-,11-4+
InChIKeyRHDKSBMQCPSPCY-WHIYXEERSA-N
MW199.26 g/mol
LogP0.81
Rot. Bonds1

About N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine

N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine (PubChem CID 142955060) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine
PubChem CID142955060
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine
SMILESC=N/C=c1\c(=C/C)n(C)c2ccncc12
InChIInChI=1S/C12H13N3/c1-4-11-9(7-13-2)10-8-14-6-5-12(10)15(11)3/h4-8H,2H2,1,3H3/b9-7-,11-4+
InChIKeyRHDKSBMQCPSPCY-WHIYXEERSA-N
XLogP0.81
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine?
The IUPAC name of N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine (CID 142955060) is N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine.
What is the SMILES notation for N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine?
The canonical SMILES for N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine is C=N/C=c1\c(=C/C)n(C)c2ccncc12.
What is the InChIKey of N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine?
The InChIKey is RHDKSBMQCPSPCY-WHIYXEERSA-N. The full InChI is InChI=1S/C12H13N3/c1-4-11-9(7-13-2)10-8-14-6-5-12(10)15(11)3/h4-8H,2H2,1,3H3/b9-7-,11-4+.
What are the key properties of N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine?
N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine has a molecular weight of 199.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E)-2-ethylidene-1-methylpyrrolo[3,2-c]pyridin-3-ylidene]methyl]methanimine is sourced from PubChem (CID 142955060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).