N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide

C9H12N2O4 — CID 58186102

IUPACN-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1CCOC1=O
InChIInChI=1S/C9H12N2O4/c1-2-7(12)10-5-8(13)11-6-3-4-15-9(6)14/h2,6H,1,3-5H2,(H,10,12)(H,11,13)
InChIKeyHNOPCQMNUWDETQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.28
Rot. Bonds4

About N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide

N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide (PubChem CID 58186102) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
PubChem CID58186102
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1CCOC1=O
InChIInChI=1S/C9H12N2O4/c1-2-7(12)10-5-8(13)11-6-3-4-15-9(6)14/h2,6H,1,3-5H2,(H,10,12)(H,11,13)
InChIKeyHNOPCQMNUWDETQ-UHFFFAOYSA-N
XLogP-1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide
CID 58186143
ethyl (E)-4-oxo-4-[[(3S)-2-oxooxolan-3-yl]amino]but-2-enoate
CID 11651519
N-(2-oxooxolan-3-yl)prop-2-enamide
CID 58186052
2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
CID 58186098
2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide
CID 58186125
N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 58186140
ethyl (E)-4-oxo-4-[[(3R)-2-oxooxolan-3-yl]amino]but-2-enoate
CID 59127515
(Z)-4-oxo-4-[(2-oxooxolan-3-yl)amino]but-2-enoic acid
CID 59891093
(Z)-4-oxo-4-[[(3S)-2-oxooxolan-3-yl]amino]but-2-enoic acid
CID 60073716
ethyl (E)-4-oxo-4-[(2-oxooxolan-3-yl)amino]but-2-enoate
CID 68239555
Ethyl 4-oxo-4-[(2-oxooxolan-3-yl)amino]but-2-enoate
CID 73042649
4-Oxo-4-[(2-oxooxolan-3-yl)amino]but-2-enoic acid
CID 73781624

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide (CID 58186102) is N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1CCOC1=O.
What is the InChIKey of N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
The InChIKey is HNOPCQMNUWDETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-2-7(12)10-5-8(13)11-6-3-4-15-9(6)14/h2,6H,1,3-5H2,(H,10,12)(H,11,13).
What are the key properties of N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide has a molecular weight of 212.20 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 58186102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).