3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol

C8H13Cl2NO — CID 131346171

IUPAC3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol
SMILESCN(C/C(Cl)=C/Cl)C1CC(O)C1
InChIInChI=1S/C8H13Cl2NO/c1-11(5-6(10)4-9)7-2-8(12)3-7/h4,7-8,12H,2-3,5H2,1H3/b6-4-
InChIKeyRXRYUGWSVJZSEG-XQRVVYSFSA-N
MW210.10 g/mol
LogP1.76
Rot. Bonds3

About 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol

3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol (PubChem CID 131346171) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol
PubChem CID131346171
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol
SMILESCN(C/C(Cl)=C/Cl)C1CC(O)C1
InChIInChI=1S/C8H13Cl2NO/c1-11(5-6(10)4-9)7-2-8(12)3-7/h4,7-8,12H,2-3,5H2,1H3/b6-4-
InChIKeyRXRYUGWSVJZSEG-XQRVVYSFSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol (CID 131346171) is 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol is CN(C/C(Cl)=C/Cl)C1CC(O)C1.
What is the InChIKey of 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol?
The InChIKey is RXRYUGWSVJZSEG-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-11(5-6(10)4-9)7-2-8(12)3-7/h4,7-8,12H,2-3,5H2,1H3/b6-4-.
What are the key properties of 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol?
3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol has a molecular weight of 210.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2,3-dichloroprop-2-enyl]-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 131346171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).