(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

C9H10INOS — CID 146170007

IUPAC(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)C(=O)/C=C(\I)c1cccs1
InChIInChI=1S/C9H10INOS/c1-11(2)9(12)6-7(10)8-4-3-5-13-8/h3-6H,1-2H3/b7-6-
InChIKeyFBRSKNKJHCYNMX-SREVYHEPSA-N
MW307.16 g/mol
LogP2.61
Rot. Bonds2

About (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide

(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 146170007) has the molecular formula C9H10INOS and a molecular weight of 307.16 g/mol. Its IUPAC name is (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID146170007
Molecular FormulaC9H10INOS
Molecular Weight307.16 g/mol
Exact Mass306.95
IUPAC Name(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
SMILESCN(C)C(=O)/C=C(\I)c1cccs1
InChIInChI=1S/C9H10INOS/c1-11(2)9(12)6-7(10)8-4-3-5-13-8/h3-6H,1-2H3/b7-6-
InChIKeyFBRSKNKJHCYNMX-SREVYHEPSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-pyrrolidin-1-yl-3-thiophen-2-ylprop-2-en-1-one
CID 2311880
(E)-N,N-diethyl-3-thiophen-2-ylprop-2-enamide
CID 2313985
(E)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 5898676
3-Methyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolan-4-one
CID 1550686
(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 147870205
(2E)-1-(4-ethylpiperazinyl)-3-(2-thienyl)prop-2-en-1-one
CID 2168109
3-Ethyl-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 2189097
(2E)-N,N-di(butan-2-yl)-3-(thiophen-2-yl)prop-2-enamide
CID 5736861
N-methoxy-N-methyl-3-(thiophen-2-yl)acrylamide
CID 15141046
(E)-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 23111612
(2Z,4E)-2-fluoro-N-methoxy-N-methyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 102358338
3-Ethyl-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2145712

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide (CID 146170007) is (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is CN(C)C(=O)/C=C(\I)c1cccs1.
What is the InChIKey of (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is FBRSKNKJHCYNMX-SREVYHEPSA-N. The full InChI is InChI=1S/C9H10INOS/c1-11(2)9(12)6-7(10)8-4-3-5-13-8/h3-6H,1-2H3/b7-6-.
What are the key properties of (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide?
(Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 307.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 146170007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).