[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine

C11H14N2 — CID 155583866

IUPAC[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine
SMILES[H]/N=C/c1c(C=C)n(C)c(=C)/c1=C\C
InChIInChI=1S/C11H14N2/c1-5-9-8(3)13(4)11(6-2)10(9)7-12/h5-7,12H,2-3H2,1,4H3/b9-5+,12-7+
InChIKeyOLJNCAKGIMRYNY-RJQVTIDESA-N
MW174.25 g/mol
LogP0.88
Rot. Bonds2

About [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine

[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine (PubChem CID 155583866) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine.

Molecular Properties

Compound Name[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine
PubChem CID155583866
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine
SMILES[H]/N=C/c1c(C=C)n(C)c(=C)/c1=C\C
InChIInChI=1S/C11H14N2/c1-5-9-8(3)13(4)11(6-2)10(9)7-12/h5-7,12H,2-3H2,1,4H3/b9-5+,12-7+
InChIKeyOLJNCAKGIMRYNY-RJQVTIDESA-N
XLogP0.88
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine
CID 165121016
(1-Ethenyl-5-methanimidoyl-2,3-dihydropyrrol-4-yl)methanimine
CID 57315202
[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 89046829
(2E,4Z)-1-imino-N,4,7-trimethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]octa-2,4,7-trien-3-amine
CID 132044174
ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
CID 142955167
N-[(E)-[5-(ethenyliminomethyl)-1,4-dimethyl-3-methylidenepyrrol-2-ylidene]methyl]ethanimine
CID 142955183
(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine
CID 143291579
4-ethenyl-N-ethyl-N-methyl-5,6-dimethylidenepyridin-3-amine
CID 143916008
(3E,5Z)-2-methanimidoyl-N-methylhepta-1,3,5-trien-3-amine
CID 144080189
1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine
CID 144512537
(2Z,5Z,7Z)-1-imino-N,N-dimethyl-4-methylidenedeca-2,5,7-trien-3-amine
CID 146522400
(Z)-3-imino-2-(1-methyl-4,9-dimethylideneazonin-2-yl)prop-1-en-1-amine
CID 146604247

Frequently Asked Questions

What is the IUPAC name of [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine?
The IUPAC name of [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine (CID 155583866) is [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine.
What is the SMILES notation for [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine?
The canonical SMILES for [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine is [H]/N=C/c1c(C=C)n(C)c(=C)/c1=C\C.
What is the InChIKey of [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine?
The InChIKey is OLJNCAKGIMRYNY-RJQVTIDESA-N. The full InChI is InChI=1S/C11H14N2/c1-5-9-8(3)13(4)11(6-2)10(9)7-12/h5-7,12H,2-3H2,1,4H3/b9-5+,12-7+.
What are the key properties of [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine?
[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine has a molecular weight of 174.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine is sourced from PubChem (CID 155583866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).