N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide

C10H16INO — CID 64788173

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
SMILESO=C(CI)NCCC1=CCCCC1
InChIInChI=1S/C10H16INO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h4H,1-3,5-8H2,(H,12,13)
InChIKeyTTYNIMXHNOQGPG-UHFFFAOYSA-N
MW293.15 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide (PubChem CID 64788173) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
PubChem CID64788173
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
SMILESO=C(CI)NCCC1=CCCCC1
InChIInChI=1S/C10H16INO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h4H,1-3,5-8H2,(H,12,13)
InChIKeyTTYNIMXHNOQGPG-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide (CID 64788173) is N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide is O=C(CI)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide?
The InChIKey is TTYNIMXHNOQGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h4H,1-3,5-8H2,(H,12,13).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide has a molecular weight of 293.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide is sourced from PubChem (CID 64788173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).