1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one

C10H19NOS — CID 143317687

IUPAC1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one
SMILESC/C=C(/SCC(C)=O)C(C)CNC
InChIInChI=1S/C10H19NOS/c1-5-10(8(2)6-11-4)13-7-9(3)12/h5,8,11H,6-7H2,1-4H3/b10-5+
InChIKeyHFNXVLDFRAELBT-BJMVGYQFSA-N
MW201.33 g/mol
LogP2.07
Rot. Bonds6

About 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one

1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one (PubChem CID 143317687) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one.

Molecular Properties

Compound Name1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one
PubChem CID143317687
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one
SMILESC/C=C(/SCC(C)=O)C(C)CNC
InChIInChI=1S/C10H19NOS/c1-5-10(8(2)6-11-4)13-7-9(3)12/h5,8,11H,6-7H2,1-4H3/b10-5+
InChIKeyHFNXVLDFRAELBT-BJMVGYQFSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one?
The IUPAC name of 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one (CID 143317687) is 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one.
What is the SMILES notation for 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one?
The canonical SMILES for 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one is C/C=C(/SCC(C)=O)C(C)CNC.
What is the InChIKey of 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one?
The InChIKey is HFNXVLDFRAELBT-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H19NOS/c1-5-10(8(2)6-11-4)13-7-9(3)12/h5,8,11H,6-7H2,1-4H3/b10-5+.
What are the key properties of 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one?
1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one has a molecular weight of 201.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methyl-5-(methylamino)pent-2-en-3-yl]sulfanylpropan-2-one is sourced from PubChem (CID 143317687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).