(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial

C11H13NS — CID 13434486

IUPAC(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial
SMILESCN/C=C(\C=S)c1ccc(C)cc1
InChIInChI=1S/C11H13NS/c1-9-3-5-10(6-4-9)11(8-13)7-12-2/h3-8,12H,1-2H3/b11-7+
InChIKeyIMANUOIJIWBMOE-YRNVUSSQSA-N
MW191.30 g/mol
LogP2.56
Rot. Bonds3

About (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial

(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial (PubChem CID 13434486) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial.

Molecular Properties

Compound Name(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial
PubChem CID13434486
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial
SMILESCN/C=C(\C=S)c1ccc(C)cc1
InChIInChI=1S/C11H13NS/c1-9-3-5-10(6-4-9)11(8-13)7-12-2/h3-8,12H,1-2H3/b11-7+
InChIKeyIMANUOIJIWBMOE-YRNVUSSQSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-methylmethanamine;1,4-xylene
CID 66760370
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
chloro-[1-(4-methylphenyl)-2-sulfanylideneethylidene]tungsten
CID 11146465
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739
(Z)-1-N',2-N-dimethyl-1-N'-(4-methylphenyl)ethene-1,1,2-triamine
CID 143211446
(E)-2-(4-methylphenyl)-3-[(E)-2-(4-methylphenyl)-3-oxoprop-1-enoxy]prop-2-enal
CID 102251676
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
N-ethenyl-4-methylbenzenecarbothioamide
CID 143068941
bis((Z)-1-(4-methylphenyl)ethene-1,2-dithiolate);nickel
CID 59155738
1-(4-methylphenyl)prop-1-en-1-ol
CID 67275749
1-methyl-4-[(2Z,6Z)-6-(4-methylphenyl)octa-2,6-dien-3-yl]benzene
CID 10589610

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial?
The IUPAC name of (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial (CID 13434486) is (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial.
What is the SMILES notation for (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial?
The canonical SMILES for (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial is CN/C=C(\C=S)c1ccc(C)cc1.
What is the InChIKey of (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial?
The InChIKey is IMANUOIJIWBMOE-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H13NS/c1-9-3-5-10(6-4-9)11(8-13)7-12-2/h3-8,12H,1-2H3/b11-7+.
What are the key properties of (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial?
(Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial has a molecular weight of 191.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)-2-(4-methylphenyl)prop-2-enethial is sourced from PubChem (CID 13434486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).