2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine

C8H13Cl2NO — CID 79167636

IUPAC2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCC1CCOC1
InChIInChI=1S/C8H13Cl2NO/c9-3-8(10)5-11-4-7-1-2-12-6-7/h3,7,11H,1-2,4-6H2
InChIKeyAFPULRYPCYGVHU-UHFFFAOYSA-N
MW210.10 g/mol
LogP1.93
Rot. Bonds4

About 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine

2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 79167636) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID79167636
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCC1CCOC1
InChIInChI=1S/C8H13Cl2NO/c9-3-8(10)5-11-4-7-1-2-12-6-7/h3,7,11H,1-2,4-6H2
InChIKeyAFPULRYPCYGVHU-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (CID 79167636) is 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is ClC=C(Cl)CNCC1CCOC1.
What is the InChIKey of 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is AFPULRYPCYGVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-3-8(10)5-11-4-7-1-2-12-6-7/h3,7,11H,1-2,4-6H2.
What are the key properties of 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 210.10 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 79167636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).