N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide

C11H18N2O2 — CID 19973757

IUPACN-[5-(prop-2-enoylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCNC(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-3-10(14)12-8-6-5-7-9-13-11(15)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15)
InChIKeyXLHXBQAXYCYZEK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.76
Rot. Bonds8

About N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide

N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide (PubChem CID 19973757) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(prop-2-enoylamino)pentyl]prop-2-enamide
PubChem CID19973757
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-[5-(prop-2-enoylamino)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCNC(=O)C=C
InChIInChI=1S/C11H18N2O2/c1-3-10(14)12-8-6-5-7-9-13-11(15)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15)
InChIKeyXLHXBQAXYCYZEK-UHFFFAOYSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide?
The IUPAC name of N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide (CID 19973757) is N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide.
What is the SMILES notation for N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide?
The canonical SMILES for N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide is C=CC(=O)NCCCCCNC(=O)C=C.
What is the InChIKey of N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide?
The InChIKey is XLHXBQAXYCYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10(14)12-8-6-5-7-9-13-11(15)4-2/h3-4H,1-2,5-9H2,(H,12,14)(H,13,15).
What are the key properties of N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide?
N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(prop-2-enoylamino)pentyl]prop-2-enamide is sourced from PubChem (CID 19973757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).