pentyl prop-2-enoate;prop-2-enamide

C11H19NO3 — CID 175210545

IUPACpentyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCCCCC.C=CC(N)=O
InChIInChI=1S/C8H14O2.C3H5NO/c1-3-5-6-7-10-8(9)4-2;1-2-3(4)5/h4H,2-3,5-7H2,1H3;2H,1H2,(H2,4,5)
InChIKeyXKOFQRKRFUHLPP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.56
Rot. Bonds6

About pentyl prop-2-enoate;prop-2-enamide

pentyl prop-2-enoate;prop-2-enamide (PubChem CID 175210545) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is pentyl prop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Namepentyl prop-2-enoate;prop-2-enamide
PubChem CID175210545
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namepentyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCCCCC.C=CC(N)=O
InChIInChI=1S/C8H14O2.C3H5NO/c1-3-5-6-7-10-8(9)4-2;1-2-3(4)5/h4H,2-3,5-7H2,1H3;2H,1H2,(H2,4,5)
InChIKeyXKOFQRKRFUHLPP-UHFFFAOYSA-N
XLogP1.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.56
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

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
5-hexoxypentyl prop-2-enoate
CID 141336215

Frequently Asked Questions

What is the IUPAC name of pentyl prop-2-enoate;prop-2-enamide?
The IUPAC name of pentyl prop-2-enoate;prop-2-enamide (CID 175210545) is pentyl prop-2-enoate;prop-2-enamide.
What is the SMILES notation for pentyl prop-2-enoate;prop-2-enamide?
The canonical SMILES for pentyl prop-2-enoate;prop-2-enamide is C=CC(=O)OCCCCC.C=CC(N)=O.
What is the InChIKey of pentyl prop-2-enoate;prop-2-enamide?
The InChIKey is XKOFQRKRFUHLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C3H5NO/c1-3-5-6-7-10-8(9)4-2;1-2-3(4)5/h4H,2-3,5-7H2,1H3;2H,1H2,(H2,4,5).
What are the key properties of pentyl prop-2-enoate;prop-2-enamide?
pentyl prop-2-enoate;prop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl prop-2-enoate;prop-2-enamide is sourced from PubChem (CID 175210545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).