(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine

C8H15NO — CID 82839951

IUPAC(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCC1CCC(/C=C/CN)O1
InChIInChI=1S/C8H15NO/c1-7-4-5-8(10-7)3-2-6-9/h2-3,7-8H,4-6,9H2,1H3/b3-2+
InChIKeyCCZNHJHVFIHTKI-NSCUHMNNSA-N
MW141.21 g/mol
LogP1.07
Rot. Bonds2

About (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine

(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (PubChem CID 82839951) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
PubChem CID82839951
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
SMILESCC1CCC(/C=C/CN)O1
InChIInChI=1S/C8H15NO/c1-7-4-5-8(10-7)3-2-6-9/h2-3,7-8H,4-6,9H2,1H3/b3-2+
InChIKeyCCZNHJHVFIHTKI-NSCUHMNNSA-N
XLogP1.07
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 ≤ 51.07
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 (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine (CID 82839951) is (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is CC1CCC(/C=C/CN)O1.
What is the InChIKey of (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
The InChIKey is CCZNHJHVFIHTKI-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-4-5-8(10-7)3-2-6-9/h2-3,7-8H,4-6,9H2,1H3/b3-2+.
What are the key properties of (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine?
(E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methyloxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 82839951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).