(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide

C10H17NO3 — CID 167491660

IUPAC(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide
SMILESCCCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C10H17NO3/c1-3-7-14-8-6-11-10(13)5-4-9(2)12/h4-5H,3,6-8H2,1-2H3,(H,11,13)/b5-4+
InChIKeySLEOJZNECQBJEK-SNAWJCMRSA-N
MW199.25 g/mol
LogP0.67
Rot. Bonds7

About (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide

(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide (PubChem CID 167491660) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide
PubChem CID167491660
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide
SMILESCCCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C10H17NO3/c1-3-7-14-8-6-11-10(13)5-4-9(2)12/h4-5H,3,6-8H2,1-2H3,(H,11,13)/b5-4+
InChIKeySLEOJZNECQBJEK-SNAWJCMRSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
(E)-N-(2-ethoxyethyl)-4-oxohex-2-enamide
CID 174204849
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
propyl (E)-4-oxo-4-[4-[[(E)-4-oxo-4-propoxybut-2-enoyl]amino]butylamino]but-2-enoate
CID 11793380
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
CID 171558068
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide?
The IUPAC name of (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide (CID 167491660) is (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide.
What is the SMILES notation for (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide?
The canonical SMILES for (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide is CCCOCCNC(=O)/C=C/C(C)=O.
What is the InChIKey of (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide?
The InChIKey is SLEOJZNECQBJEK-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-7-14-8-6-11-10(13)5-4-9(2)12/h4-5H,3,6-8H2,1-2H3,(H,11,13)/b5-4+.
What are the key properties of (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide?
(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide is sourced from PubChem (CID 167491660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).