4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one

C10H15NO3 — CID 88647714

IUPAC4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCC(N)C(=O)C=C
InChIInChI=1S/C10H15NO3/c1-3-8(12)5-6-14-7-9(11)10(13)4-2/h3-4,9H,1-2,5-7,11H2
InChIKeyHMXRXBMFCQJDQB-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.23
Rot. Bonds8

About 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one

4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one (PubChem CID 88647714) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one.

Molecular Properties

Compound Name4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one
PubChem CID88647714
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCC(N)C(=O)C=C
InChIInChI=1S/C10H15NO3/c1-3-8(12)5-6-14-7-9(11)10(13)4-2/h3-4,9H,1-2,5-7,11H2
InChIKeyHMXRXBMFCQJDQB-UHFFFAOYSA-N
XLogP0.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(2-methylpropoxy)pent-1-en-3-one
CID 161282003
2-amino-3-pent-4-enoxypropanoic acid
CID 79114694
4-amino-5-sulfanylpent-1-en-3-one
CID 18331998
2-amino-3-(2-carboxyethoxy)propanoic acid
CID 138683261
4-amino-7-methoxyhept-1-en-3-one
CID 116593727
5-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 142398269
3-oxopent-4-enyl formate
CID 21299965
2-methyl-5-[2-[2-[2-[2-(3-oxopent-4-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]pent-1-en-3-one
CID 90191283
5-[3-(methylamino)propoxy]pent-1-en-3-one
CID 90191317
(E)-4-oxo-4-(3-oxopent-4-enoxy)but-2-enoic acid
CID 87874272
3-oxopent-4-enyl 3-oxobutanoate
CID 151844428
6-(2-oxobut-3-enoxy)hex-1-en-3-one
CID 147998253

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one?
The IUPAC name of 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one (CID 88647714) is 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one.
What is the SMILES notation for 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one?
The canonical SMILES for 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one is C=CC(=O)CCOCC(N)C(=O)C=C.
What is the InChIKey of 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one?
The InChIKey is HMXRXBMFCQJDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8(12)5-6-14-7-9(11)10(13)4-2/h3-4,9H,1-2,5-7,11H2.
What are the key properties of 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one?
4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one has a molecular weight of 197.23 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3-oxopent-4-enoxy)pent-1-en-3-one is sourced from PubChem (CID 88647714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).