(2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide

C10H18N2O2 — CID 101417580

IUPAC(2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
SMILESCC(=O)/C=C(\C)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C10H18N2O2/c1-7(6-8(2)13)11-9(3)10(14)12(4)5/h6,9,11H,1-5H3/b7-6+/t9-/m0/s1
InChIKeySUYCIBUSVSRAIF-UCUJLANTSA-N
MW198.27 g/mol
LogP0.55
Rot. Bonds4

About (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide

(2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide (PubChem CID 101417580) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
PubChem CID101417580
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
SMILESCC(=O)/C=C(\C)N[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C10H18N2O2/c1-7(6-8(2)13)11-9(3)10(14)12(4)5/h6,9,11H,1-5H3/b7-6+/t9-/m0/s1
InChIKeySUYCIBUSVSRAIF-UCUJLANTSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide (CID 101417580) is (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide is CC(=O)/C=C(\C)N[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide?
The InChIKey is SUYCIBUSVSRAIF-UCUJLANTSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(6-8(2)13)11-9(3)10(14)12(4)5/h6,9,11H,1-5H3/b7-6+/t9-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide?
(2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide has a molecular weight of 198.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide is sourced from PubChem (CID 101417580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).