1-(2-methyloxolan-3-yl)prop-2-en-1-amine

C8H15NO — CID 105001037

IUPAC1-(2-methyloxolan-3-yl)prop-2-en-1-amine
SMILESC=CC(N)C1CCOC1C
InChIInChI=1S/C8H15NO/c1-3-8(9)7-4-5-10-6(7)2/h3,6-8H,1,4-5,9H2,2H3
InChIKeyXKXMGUDVPPJKDC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-methyloxolan-3-yl)prop-2-en-1-amine

1-(2-methyloxolan-3-yl)prop-2-en-1-amine (PubChem CID 105001037) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)prop-2-en-1-amine
PubChem CID105001037
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2-methyloxolan-3-yl)prop-2-en-1-amine
SMILESC=CC(N)C1CCOC1C
InChIInChI=1S/C8H15NO/c1-3-8(9)7-4-5-10-6(7)2/h3,6-8H,1,4-5,9H2,2H3
InChIKeyXKXMGUDVPPJKDC-UHFFFAOYSA-N
XLogP0.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(2-methyloxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(2-methyloxolan-3-yl)prop-2-en-1-amine (CID 105001037) is 1-(2-methyloxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(2-methyloxolan-3-yl)prop-2-en-1-amine is C=CC(N)C1CCOC1C.
What is the InChIKey of 1-(2-methyloxolan-3-yl)prop-2-en-1-amine?
The InChIKey is XKXMGUDVPPJKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(9)7-4-5-10-6(7)2/h3,6-8H,1,4-5,9H2,2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)prop-2-en-1-amine?
1-(2-methyloxolan-3-yl)prop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 105001037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).