N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide

C11H15N3O3 — CID 139442569

IUPACN-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(NC(=O)C=C)C(=O)C=C
InChIInChI=1S/C11H15N3O3/c1-4-9(15)12-7-8-14(11(17)6-3)13-10(16)5-2/h4-6H,1-3,7-8H2,(H,12,15)(H,13,16)
InChIKeyZTXPEZOLKXMQHD-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.48
Rot. Bonds6

About N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide

N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide (PubChem CID 139442569) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
PubChem CID139442569
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(NC(=O)C=C)C(=O)C=C
InChIInChI=1S/C11H15N3O3/c1-4-9(15)12-7-8-14(11(17)6-3)13-10(16)5-2/h4-6H,1-3,7-8H2,(H,12,15)(H,13,16)
InChIKeyZTXPEZOLKXMQHD-UHFFFAOYSA-N
XLogP-0.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide (CID 139442569) is N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(NC(=O)C=C)C(=O)C=C.
What is the InChIKey of N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide?
The InChIKey is ZTXPEZOLKXMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-4-9(15)12-7-8-14(11(17)6-3)13-10(16)5-2/h4-6H,1-3,7-8H2,(H,12,15)(H,13,16).
What are the key properties of N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide?
N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide has a molecular weight of 237.26 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[prop-2-enoyl-(prop-2-enoylamino)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 139442569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).