N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine

C12H20N2 — CID 167251762

IUPACN-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine
SMILESC/C=N/C=C\C1=C(C)C(CC)CN1C
InChIInChI=1S/C12H20N2/c1-5-11-9-14(4)12(10(11)3)7-8-13-6-2/h6-8,11H,5,9H2,1-4H3/b8-7-,13-6+
InChIKeyBYEYDLPHIQVJAQ-ZUKYEBQOSA-N
MW192.31 g/mol
LogP2.84
Rot. Bonds3

About N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine

N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine (PubChem CID 167251762) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine
PubChem CID167251762
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine
SMILESC/C=N/C=C\C1=C(C)C(CC)CN1C
InChIInChI=1S/C12H20N2/c1-5-11-9-14(4)12(10(11)3)7-8-13-6-2/h6-8,11H,5,9H2,1-4H3/b8-7-,13-6+
InChIKeyBYEYDLPHIQVJAQ-ZUKYEBQOSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine?
The IUPAC name of N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine (CID 167251762) is N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine?
The canonical SMILES for N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine is C/C=N/C=C\C1=C(C)C(CC)CN1C.
What is the InChIKey of N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine?
The InChIKey is BYEYDLPHIQVJAQ-ZUKYEBQOSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-11-9-14(4)12(10(11)3)7-8-13-6-2/h6-8,11H,5,9H2,1-4H3/b8-7-,13-6+.
What are the key properties of N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine?
N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine has a molecular weight of 192.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(3-ethyl-1,4-dimethyl-2,3-dihydropyrrol-5-yl)ethenyl]ethanimine is sourced from PubChem (CID 167251762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).