N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine

C9H15Cl2NO — CID 103581122

IUPACN-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c1-7-9(2,3-4-13-7)12-6-8(11)5-10/h5,7,12H,3-4,6H2,1-2H3
InChIKeyCYARENWZAZOVRX-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.46
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine

N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine (PubChem CID 103581122) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine
PubChem CID103581122
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c1-7-9(2,3-4-13-7)12-6-8(11)5-10/h5,7,12H,3-4,6H2,1-2H3
InChIKeyCYARENWZAZOVRX-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-2-methyloxolan-3-amine
CID 82725175
N-(2-chloroprop-2-enyl)-2-methyloxolan-3-amine
CID 82725378
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethyloxolan-3-amine
CID 103581223
2,3-dimethyl-N-(2-methylprop-2-enyl)oxolan-3-amine
CID 103581257
N-(2,3-dichloroprop-2-enyl)-3-methyloxolan-3-amine
CID 104865219
N-(2,3-dichloroprop-2-enyl)-4-methyloxan-4-amine
CID 104866606
N-[(E)-4-chlorobut-2-enyl]-2,3-dimethyloxolan-3-amine
CID 105661593
N-(2-chloroprop-2-enyl)-2,3-dimethyloxolan-3-amine
CID 105661595
2,3-dichloro-N-[(2-methyloxolan-3-yl)methyl]prop-2-en-1-amine
CID 105736243
N-(3-chloro-2-methylprop-2-enyl)-2-methyloxolan-3-amine
CID 106437998
N-(3-chloro-2-methylprop-2-enyl)-3-methyloxolan-3-amine
CID 106438098
N-(3-chloro-2-methylprop-2-enyl)-2,3-dimethyloxolan-3-amine
CID 106438232

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine (CID 103581122) is N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is CYARENWZAZOVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-7-9(2,3-4-13-7)12-6-8(11)5-10/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine?
N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 224.13 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).