(1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine

C9H11NS — CID 135270720

IUPAC(1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine
SMILESC=C/C=c1/scc/c1=C/NC
InChIInChI=1S/C9H11NS/c1-3-4-9-8(7-10-2)5-6-11-9/h3-7,10H,1H2,2H3/b8-7-,9-4+
InChIKeyUHPYEUCKHJXIOU-TZRLODCYSA-N
MW165.26 g/mol
LogP0.67
Rot. Bonds2

About (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine

(1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine (PubChem CID 135270720) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine.

Molecular Properties

Compound Name(1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine
PubChem CID135270720
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine
SMILESC=C/C=c1/scc/c1=C/NC
InChIInChI=1S/C9H11NS/c1-3-4-9-8(7-10-2)5-6-11-9/h3-7,10H,1H2,2H3/b8-7-,9-4+
InChIKeyUHPYEUCKHJXIOU-TZRLODCYSA-N
XLogP0.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine?
The IUPAC name of (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine (CID 135270720) is (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine.
What is the SMILES notation for (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine?
The canonical SMILES for (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine is C=C/C=c1/scc/c1=C/NC.
What is the InChIKey of (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine?
The InChIKey is UHPYEUCKHJXIOU-TZRLODCYSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-4-9-8(7-10-2)5-6-11-9/h3-7,10H,1H2,2H3/b8-7-,9-4+.
What are the key properties of (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine?
(1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine has a molecular weight of 165.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-1-[(2E)-2-prop-2-enylidenethiophen-3-ylidene]methanamine is sourced from PubChem (CID 135270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).