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

C8H14ClNO — CID 61039216

IUPAC2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCOC1
InChIInChI=1S/C8H14ClNO/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2
InChIKeyCWLLXKARWGJSIG-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.37
Rot. Bonds4

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

2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 61039216) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID61039216
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCOC1
InChIInChI=1S/C8H14ClNO/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2
InChIKeyCWLLXKARWGJSIG-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine (CID 61039216) is 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is C=C(Cl)CNCC1CCOC1.
What is the InChIKey of 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is CWLLXKARWGJSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-7(9)4-10-5-8-2-3-11-6-8/h8,10H,1-6H2.
What are the key properties of 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine?
2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 175.66 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 61039216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).