N-[(E)-8-iodooct-4-enyl]prop-2-enamide

C11H18INO — CID 10990443

IUPACN-[(E)-8-iodooct-4-enyl]prop-2-enamide
SMILESC=CC(=O)NCCC/C=C/CCCI
InChIInChI=1S/C11H18INO/c1-2-11(14)13-10-8-6-4-3-5-7-9-12/h2-4H,1,5-10H2,(H,13,14)/b4-3+
InChIKeySTCVUSGALKRKIQ-ONEGZZNKSA-N
MW307.18 g/mol
LogP2.84
Rot. Bonds8

About N-[(E)-8-iodooct-4-enyl]prop-2-enamide

N-[(E)-8-iodooct-4-enyl]prop-2-enamide (PubChem CID 10990443) has the molecular formula C11H18INO and a molecular weight of 307.18 g/mol. Its IUPAC name is N-[(E)-8-iodooct-4-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(E)-8-iodooct-4-enyl]prop-2-enamide
PubChem CID10990443
Molecular FormulaC11H18INO
Molecular Weight307.18 g/mol
Exact Mass307.04
IUPAC NameN-[(E)-8-iodooct-4-enyl]prop-2-enamide
SMILESC=CC(=O)NCCC/C=C/CCCI
InChIInChI=1S/C11H18INO/c1-2-11(14)13-10-8-6-4-3-5-7-9-12/h2-4H,1,5-10H2,(H,13,14)/b4-3+
InChIKeySTCVUSGALKRKIQ-ONEGZZNKSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
sodium 11-(prop-2-enoylamino)undec-2-enoate
CID 141249552
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
4-(prop-2-enoylamino)butanamide
CID 60864661
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-(4-aminobut-3-enyl)prop-2-enamide
CID 174483011
N-heptadecylprop-2-enamide
CID 20727742
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-(4-aminobutyl)prop-2-enamide;hydrochloride
CID 19429106

Frequently Asked Questions

What is the IUPAC name of N-[(E)-8-iodooct-4-enyl]prop-2-enamide?
The IUPAC name of N-[(E)-8-iodooct-4-enyl]prop-2-enamide (CID 10990443) is N-[(E)-8-iodooct-4-enyl]prop-2-enamide.
What is the SMILES notation for N-[(E)-8-iodooct-4-enyl]prop-2-enamide?
The canonical SMILES for N-[(E)-8-iodooct-4-enyl]prop-2-enamide is C=CC(=O)NCCC/C=C/CCCI.
What is the InChIKey of N-[(E)-8-iodooct-4-enyl]prop-2-enamide?
The InChIKey is STCVUSGALKRKIQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H18INO/c1-2-11(14)13-10-8-6-4-3-5-7-9-12/h2-4H,1,5-10H2,(H,13,14)/b4-3+.
What are the key properties of N-[(E)-8-iodooct-4-enyl]prop-2-enamide?
N-[(E)-8-iodooct-4-enyl]prop-2-enamide has a molecular weight of 307.18 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-8-iodooct-4-enyl]prop-2-enamide is sourced from PubChem (CID 10990443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).