(E)-N,N-diethyl-3-iodoprop-2-enamide

C7H12INO — CID 13289243

IUPAC(E)-N,N-diethyl-3-iodoprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/I
InChIInChI=1S/C7H12INO/c1-3-9(4-2)7(10)5-6-8/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyUCJPYORZYNDCJP-AATRIKPKSA-N
MW253.08 g/mol
LogP1.80
Rot. Bonds3

About (E)-N,N-diethyl-3-iodoprop-2-enamide

(E)-N,N-diethyl-3-iodoprop-2-enamide (PubChem CID 13289243) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-iodoprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-iodoprop-2-enamide
PubChem CID13289243
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC Name(E)-N,N-diethyl-3-iodoprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/I
InChIInChI=1S/C7H12INO/c1-3-9(4-2)7(10)5-6-8/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyUCJPYORZYNDCJP-AATRIKPKSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylacrylamide
CID 17583
N,N-Diallylacrylamide
CID 95114
n,n-Dipropylprop-2-enamide
CID 266287
2-iodo-N,N-bis(prop-2-enyl)acetamide
CID 10355472
N-ethyl-N-methylprop-2-enamide
CID 10441673
n-Allyl-n-methylacrylamide
CID 12294821
N-Methyl-N-propyl-2-propenamide
CID 14204073
N-Butyl-N-methyl-2-propenamide
CID 14669957
N-Methyl-N-(propan-2-yl)prop-2-enamide
CID 15606634
N-ethyl propyl acrylamide
CID 20027843
N-Methyl-N-(prop-2-enoyl)prop-2-enamide
CID 11040775
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-iodoprop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-iodoprop-2-enamide (CID 13289243) is (E)-N,N-diethyl-3-iodoprop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-iodoprop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-iodoprop-2-enamide is CCN(CC)C(=O)/C=C/I.
What is the InChIKey of (E)-N,N-diethyl-3-iodoprop-2-enamide?
The InChIKey is UCJPYORZYNDCJP-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12INO/c1-3-9(4-2)7(10)5-6-8/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-N,N-diethyl-3-iodoprop-2-enamide?
(E)-N,N-diethyl-3-iodoprop-2-enamide has a molecular weight of 253.08 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-iodoprop-2-enamide is sourced from PubChem (CID 13289243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).