N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine

C11H19NO2 — CID 103074794

IUPACN-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCOC1
InChIInChI=1S/C11H19NO2/c1-9(6-12-10-2-3-10)7-14-11-4-5-13-8-11/h10-12H,1-8H2
InChIKeyYQWQIAXZKISNDR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074794) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074794
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCOC1
InChIInChI=1S/C11H19NO2/c1-9(6-12-10-2-3-10)7-14-11-4-5-13-8-11/h10-12H,1-8H2
InChIKeyYQWQIAXZKISNDR-UHFFFAOYSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074794) is N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCOC1.
What is the InChIKey of N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is YQWQIAXZKISNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(6-12-10-2-3-10)7-14-11-4-5-13-8-11/h10-12H,1-8H2.
What are the key properties of N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).