N-(3-iodopropyl)-N-methylprop-2-enamide

C7H12INO — CID 126549054

IUPACN-(3-iodopropyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCI
InChIInChI=1S/C7H12INO/c1-3-7(10)9(2)6-4-5-8/h3H,1,4-6H2,2H3
InChIKeyOVDHGSYNECQYKE-UHFFFAOYSA-N
MW253.08 g/mol
LogP1.46
Rot. Bonds4

About N-(3-iodopropyl)-N-methylprop-2-enamide

N-(3-iodopropyl)-N-methylprop-2-enamide (PubChem CID 126549054) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is N-(3-iodopropyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-N-methylprop-2-enamide
PubChem CID126549054
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC NameN-(3-iodopropyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCI
InChIInChI=1S/C7H12INO/c1-3-7(10)9(2)6-4-5-8/h3H,1,4-6H2,2H3
InChIKeyOVDHGSYNECQYKE-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(3-iodopropyl)-N-methylprop-2-enamide?
The IUPAC name of N-(3-iodopropyl)-N-methylprop-2-enamide (CID 126549054) is N-(3-iodopropyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(3-iodopropyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(3-iodopropyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CCCI.
What is the InChIKey of N-(3-iodopropyl)-N-methylprop-2-enamide?
The InChIKey is OVDHGSYNECQYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO/c1-3-7(10)9(2)6-4-5-8/h3H,1,4-6H2,2H3.
What are the key properties of N-(3-iodopropyl)-N-methylprop-2-enamide?
N-(3-iodopropyl)-N-methylprop-2-enamide has a molecular weight of 253.08 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-N-methylprop-2-enamide is sourced from PubChem (CID 126549054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).