N-(3-iodopropyl)-3-methyloxolane-2-carboxamide

C9H16INO2 — CID 114503961

IUPACN-(3-iodopropyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCCI
InChIInChI=1S/C9H16INO2/c1-7-3-6-13-8(7)9(12)11-5-2-4-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyAIFDGEDGMSSDNC-UHFFFAOYSA-N
MW297.14 g/mol
LogP1.35
Rot. Bonds4

About N-(3-iodopropyl)-3-methyloxolane-2-carboxamide

N-(3-iodopropyl)-3-methyloxolane-2-carboxamide (PubChem CID 114503961) has the molecular formula C9H16INO2 and a molecular weight of 297.14 g/mol. Its IUPAC name is N-(3-iodopropyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodopropyl)-3-methyloxolane-2-carboxamide
PubChem CID114503961
Molecular FormulaC9H16INO2
Molecular Weight297.14 g/mol
Exact Mass297.02
IUPAC NameN-(3-iodopropyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCCI
InChIInChI=1S/C9H16INO2/c1-7-3-6-13-8(7)9(12)11-5-2-4-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyAIFDGEDGMSSDNC-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze N-(3-iodopropyl)-3-methyloxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 115735316
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602
N-[(4-hydroxyphenyl)methyl]-3-methyloxolane-2-carboxamide
CID 113264520
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(3-iodopropyl)-3-methyloxolane-2-carboxamide (CID 114503961) is N-(3-iodopropyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3-iodopropyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3-iodopropyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCCCI.
What is the InChIKey of N-(3-iodopropyl)-3-methyloxolane-2-carboxamide?
The InChIKey is AIFDGEDGMSSDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16INO2/c1-7-3-6-13-8(7)9(12)11-5-2-4-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of N-(3-iodopropyl)-3-methyloxolane-2-carboxamide?
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide has a molecular weight of 297.14 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 114503961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).