1-(oxolan-2-yl)pent-4-en-2-amine

C9H17NO — CID 61380136

IUPAC1-(oxolan-2-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCCO1
InChIInChI=1S/C9H17NO/c1-2-4-8(10)7-9-5-3-6-11-9/h2,8-9H,1,3-7,10H2
InChIKeyWYXXMZXSMAICFR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds4

About 1-(oxolan-2-yl)pent-4-en-2-amine

1-(oxolan-2-yl)pent-4-en-2-amine (PubChem CID 61380136) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(oxolan-2-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)pent-4-en-2-amine
PubChem CID61380136
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(oxolan-2-yl)pent-4-en-2-amine
SMILESC=CCC(N)CC1CCCO1
InChIInChI=1S/C9H17NO/c1-2-4-8(10)7-9-5-3-6-11-9/h2,8-9H,1,3-7,10H2
InChIKeyWYXXMZXSMAICFR-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
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-(oxolan-2-yl)pent-4-en-2-amine?
The IUPAC name of 1-(oxolan-2-yl)pent-4-en-2-amine (CID 61380136) is 1-(oxolan-2-yl)pent-4-en-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)pent-4-en-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)pent-4-en-2-amine is C=CCC(N)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)pent-4-en-2-amine?
The InChIKey is WYXXMZXSMAICFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-8(10)7-9-5-3-6-11-9/h2,8-9H,1,3-7,10H2.
What are the key properties of 1-(oxolan-2-yl)pent-4-en-2-amine?
1-(oxolan-2-yl)pent-4-en-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)pent-4-en-2-amine is sourced from PubChem (CID 61380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).