2-(oxolan-2-yl)prop-2-en-1-amine

C7H13NO — CID 117266327

IUPAC2-(oxolan-2-yl)prop-2-en-1-amine
SMILESC=C(CN)C1CCCO1
InChIInChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h7H,1-5,8H2
InChIKeySWZMMWCDMHPPTI-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About 2-(oxolan-2-yl)prop-2-en-1-amine

2-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 117266327) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID117266327
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-(oxolan-2-yl)prop-2-en-1-amine
SMILESC=C(CN)C1CCCO1
InChIInChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h7H,1-5,8H2
InChIKeySWZMMWCDMHPPTI-UHFFFAOYSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
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 2-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-(oxolan-2-yl)prop-2-en-1-amine (CID 117266327) is 2-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-(oxolan-2-yl)prop-2-en-1-amine is C=C(CN)C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is SWZMMWCDMHPPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(5-8)7-3-2-4-9-7/h7H,1-5,8H2.
What are the key properties of 2-(oxolan-2-yl)prop-2-en-1-amine?
2-(oxolan-2-yl)prop-2-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 117266327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).