N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide

C10H18ClNO2 — CID 114823103

IUPACN-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC(Cl)CN(C)C(=O)C1COC(C)C1
InChIInChI=1S/C10H18ClNO2/c1-7(11)5-12(3)10(13)9-4-8(2)14-6-9/h7-9H,4-6H2,1-3H3
InChIKeyJHQSIVZAPJDTNV-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.50
Rot. Bonds3

About N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide

N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide (PubChem CID 114823103) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide
PubChem CID114823103
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide
SMILESCC(Cl)CN(C)C(=O)C1COC(C)C1
InChIInChI=1S/C10H18ClNO2/c1-7(11)5-12(3)10(13)9-4-8(2)14-6-9/h7-9H,4-6H2,1-3H3
InChIKeyJHQSIVZAPJDTNV-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide
CID 105728640
N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 105728643
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide
CID 107491123
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
CID 107491228
N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 107492119
N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 107492172
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 113965744
N-(2-chloroethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 113965960
N-butyl-N-(2-chloroethyl)oxolane-3-carboxamide
CID 63391038
N-(2-chloroethyl)-N-methyloxolane-3-carboxamide
CID 63391481
N-(2-chloroethyl)-N-propyloxolane-3-carboxamide
CID 63393398
N-(2-chloropropyl)-N-methyloxolane-3-carboxamide
CID 63393904

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide (CID 114823103) is N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide is CC(Cl)CN(C)C(=O)C1COC(C)C1.
What is the InChIKey of N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide?
The InChIKey is JHQSIVZAPJDTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-7(11)5-12(3)10(13)9-4-8(2)14-6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide?
N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide has a molecular weight of 219.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N,5-dimethyloxolane-3-carboxamide is sourced from PubChem (CID 114823103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).