4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane

C12H18N2 — CID 142150605

IUPAC4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane
SMILESC=CC1=C(C=C)/C(=N/C)C(=C)N1.CC
InChIInChI=1S/C10H12N2.C2H6/c1-5-8-9(6-2)12-7(3)10(8)11-4;1-2/h5-6,12H,1-3H2,4H3;1-2H3/b11-10+;
InChIKeyHFVNXMGZIDEPFN-ASTDGNLGSA-N
MW190.29 g/mol
LogP2.83
Rot. Bonds2

About 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane

4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane (PubChem CID 142150605) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane
PubChem CID142150605
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane
SMILESC=CC1=C(C=C)/C(=N/C)C(=C)N1.CC
InChIInChI=1S/C10H12N2.C2H6/c1-5-8-9(6-2)12-7(3)10(8)11-4;1-2/h5-6,12H,1-3H2,4H3;1-2H3/b11-10+;
InChIKeyHFVNXMGZIDEPFN-ASTDGNLGSA-N
XLogP2.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.83
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

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(2Z)-4-imino-5-methylidene-8-(propan-2-ylideneamino)octa-2,6-dien-2-amine
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1-[(4Z)-4-ethylidene-3-methyl-5-methylidene-1H-pyrrol-2-yl]-N-methylmethanimine
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6,10,13,17-Tetraethyl-21,22,23,24-tetrazapentacyclo[16.2.1.12,5.18,11.112,15]tetracosa-1(21),2(24),3,5,7,9,11,13,15,17,19-undecaene
CID 145808195
N,4,5-trimethyl-3-methylimino-6-propan-2-ylidenecyclohexa-1,4-dien-1-amine
CID 159526178
N-tert-butyl-3-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]iminopent-4-en-1-amine
CID 162747522
(2Z,3Z)-2-[5-[(1Z)-1-[(5Z)-5-(3-iminobutan-2-ylidene)pyrrol-2-ylidene]ethyl]pyrrol-2-ylidene]hexa-3,5-dien-3-amine
CID 163417498

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane?
The IUPAC name of 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane (CID 142150605) is 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane is C=CC1=C(C=C)/C(=N/C)C(=C)N1.CC.
What is the InChIKey of 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane?
The InChIKey is HFVNXMGZIDEPFN-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-5-8-9(6-2)12-7(3)10(8)11-4;1-2/h5-6,12H,1-3H2,4H3;1-2H3/b11-10+;.
What are the key properties of 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane?
4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane has a molecular weight of 190.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-N-methyl-2-methylidene-1H-pyrrol-3-imine;ethane is sourced from PubChem (CID 142150605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).