N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide

C10H16ClNO3 — CID 131115063

IUPACN-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide
SMILESO=C(NC1(CCl)CCOC1)C1CCOC1
InChIInChI=1S/C10H16ClNO3/c11-6-10(2-4-15-7-10)12-9(13)8-1-3-14-5-8/h8H,1-7H2,(H,12,13)
InChIKeyWLBFNXOTWCYDHM-UHFFFAOYSA-N
MW233.69 g/mol
LogP0.54
Rot. Bonds3

About N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide

N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide (PubChem CID 131115063) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide
PubChem CID131115063
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC NameN-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide
SMILESO=C(NC1(CCl)CCOC1)C1CCOC1
InChIInChI=1S/C10H16ClNO3/c11-6-10(2-4-15-7-10)12-9(13)8-1-3-14-5-8/h8H,1-7H2,(H,12,13)
InChIKeyWLBFNXOTWCYDHM-UHFFFAOYSA-N
XLogP0.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloromethyl)oxolan-3-yl]acetamide
CID 131008261
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[1-(chloromethyl)-4-methylcyclohexyl]oxane-3-carboxamide
CID 113273232
N-[4-(chloromethyl)oxan-4-yl]thiolane-3-carboxamide
CID 106300810
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methyloxane-4-carboxamide
CID 114241726
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131182239

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide (CID 131115063) is N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide is O=C(NC1(CCl)CCOC1)C1CCOC1.
What is the InChIKey of N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide?
The InChIKey is WLBFNXOTWCYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c11-6-10(2-4-15-7-10)12-9(13)8-1-3-14-5-8/h8H,1-7H2,(H,12,13).
What are the key properties of N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide?
N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide has a molecular weight of 233.69 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)oxolan-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 131115063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).