N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide

C11H19NOS — CID 123534155

IUPACN-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide
SMILESC=C(C=CS(C)(C)C)C(=C)NC(C)=O
InChIInChI=1S/C11H19NOS/c1-9(7-8-14(4,5)6)10(2)12-11(3)13/h7-8H,1-2H2,3-6H3,(H,12,13)
InChIKeyQDZBWHOSGYPZKE-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.40
Rot. Bonds4

About N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide

N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide (PubChem CID 123534155) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide
PubChem CID123534155
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide
SMILESC=C(C=CS(C)(C)C)C(=C)NC(C)=O
InChIInChI=1S/C11H19NOS/c1-9(7-8-14(4,5)6)10(2)12-11(3)13/h7-8H,1-2H2,3-6H3,(H,12,13)
InChIKeyQDZBWHOSGYPZKE-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide?
The IUPAC name of N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide (CID 123534155) is N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide.
What is the SMILES notation for N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide?
The canonical SMILES for N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide is C=C(C=CS(C)(C)C)C(=C)NC(C)=O.
What is the InChIKey of N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide?
The InChIKey is QDZBWHOSGYPZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-9(7-8-14(4,5)6)10(2)12-11(3)13/h7-8H,1-2H2,3-6H3,(H,12,13).
What are the key properties of N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide?
N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide has a molecular weight of 213.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methylidene-5-(trimethyl-λ4-sulfanyl)penta-1,4-dien-2-yl]acetamide is sourced from PubChem (CID 123534155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).