2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine

C11H13NS — CID 123368043

IUPAC2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
SMILESCC=CC=c1sccc1=C/C=N/C
InChIInChI=1S/C11H13NS/c1-3-4-5-11-10(6-8-12-2)7-9-13-11/h3-9H,1-2H3/b4-3?,10-6?,11-5?,12-8+
InChIKeyKBBRNHYCRUPZFV-FWBOUFQGSA-N
MW191.30 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine

2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine (PubChem CID 123368043) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine.

Molecular Properties

Compound Name2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
PubChem CID123368043
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
SMILESCC=CC=c1sccc1=C/C=N/C
InChIInChI=1S/C11H13NS/c1-3-4-5-11-10(6-8-12-2)7-9-13-11/h3-9H,1-2H3/b4-3?,10-6?,11-5?,12-8+
InChIKeyKBBRNHYCRUPZFV-FWBOUFQGSA-N
XLogP1.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-thieno[2,3-c]azepine
CID 66621567
5,5-Dimethylthieno[2,3-d]azepine
CID 70311060
(2E)-2-[(3Z)-3-(2-methylpropylidene)thiophen-2-ylidene]ethanimine
CID 87310153
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
5-(1-Methylsulfanylethyl)-2,3-dihydropyridine
CID 91177357
N-ethyl-2-(1-methylsulfanylethyl)but-2-en-1-imine
CID 91180521
(2E)-4-ethenylsulfanyl-3-methylpenta-2,4-dien-1-imine
CID 91550984
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
2,3-Dihydropyridin-3-yl(trimethyl)-lambda4-sulfane
CID 123644316
3,4-dihydro-2H-thieno[3,2-c]azepine
CID 137397439
3-methyl-2-[(1Z)-3-methylbuta-1,3-dienyl]-3,6-dihydro-2H-1,4-thiazine
CID 137427588

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine?
The IUPAC name of 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine (CID 123368043) is 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine.
What is the SMILES notation for 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine?
The canonical SMILES for 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine is CC=CC=c1sccc1=C/C=N/C.
What is the InChIKey of 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine?
The InChIKey is KBBRNHYCRUPZFV-FWBOUFQGSA-N. The full InChI is InChI=1S/C11H13NS/c1-3-4-5-11-10(6-8-12-2)7-9-13-11/h3-9H,1-2H3/b4-3?,10-6?,11-5?,12-8+.
What are the key properties of 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine?
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine has a molecular weight of 191.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine is sourced from PubChem (CID 123368043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).