(E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine

C9H17NO — CID 103091628

IUPAC(E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine
SMILESCC(N)/C=C/C1CCC(C)O1
InChIInChI=1S/C9H17NO/c1-7(10)3-5-9-6-4-8(2)11-9/h3,5,7-9H,4,6,10H2,1-2H3/b5-3+
InChIKeySQFXFDRRQMDFIE-HWKANZROSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds2

About (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine

(E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine (PubChem CID 103091628) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine
PubChem CID103091628
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine
SMILESCC(N)/C=C/C1CCC(C)O1
InChIInChI=1S/C9H17NO/c1-7(10)3-5-9-6-4-8(2)11-9/h3,5,7-9H,4,6,10H2,1-2H3/b5-3+
InChIKeySQFXFDRRQMDFIE-HWKANZROSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

(1R)-5-fluoro-4-propan-2-yloxycyclohex-2-en-1-amine
CID 169580239
4-Methoxycyclopent-2-en-1-amine
CID 22024759
3-Cyclohex-2-en-1-yloxypropan-1-amine
CID 58684071
4-Cyclopentyloxycyclohexa-2,4-dien-1-amine
CID 68200170
1-[(2S)-2,5-dihydrofuran-2-yl]propan-1-amine
CID 69640789
3-Cyclopentyloxycyclohexa-2,4-dien-1-amine
CID 89073728
(Z)-4-methoxyhept-2-en-1-amine
CID 89073845
(E)-6-(oxolan-2-yl)oct-5-en-3-amine
CID 89074037
(5Z)-7-(oxolan-3-yloxy)hepta-1,5-dien-4-amine
CID 89153880
(4E)-5-cyclopentyloxyhepta-4,6-dien-3-amine
CID 89153966
(Z,2R)-5-butoxypent-3-en-2-amine
CID 117828191
Ethane;methanamine;7-oxabicyclo[2.2.1]hept-2-ene
CID 155702888

Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
The IUPAC name of (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine (CID 103091628) is (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
The canonical SMILES for (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine is CC(N)/C=C/C1CCC(C)O1.
What is the InChIKey of (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
The InChIKey is SQFXFDRRQMDFIE-HWKANZROSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(10)3-5-9-6-4-8(2)11-9/h3,5,7-9H,4,6,10H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine?
(E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-methyloxolan-2-yl)but-3-en-2-amine is sourced from PubChem (CID 103091628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).