(E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine

C11H19NO — CID 103092532

IUPAC(E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/C1CCC=CO1
InChIInChI=1S/C11H19NO/c1-3-12-10(2)7-8-11-6-4-5-9-13-11/h5,7-12H,3-4,6H2,1-2H3/b8-7+
InChIKeyKRLNSPZPHHCRIC-BQYQJAHWSA-N
MW181.28 g/mol
LogP2.23
Rot. Bonds4

About (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine

(E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine (PubChem CID 103092532) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine
PubChem CID103092532
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/C1CCC=CO1
InChIInChI=1S/C11H19NO/c1-3-12-10(2)7-8-11-6-4-5-9-13-11/h5,7-12H,3-4,6H2,1-2H3/b8-7+
InChIKeyKRLNSPZPHHCRIC-BQYQJAHWSA-N
XLogP2.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.23
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)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine (CID 103092532) is (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/C1CCC=CO1.
What is the InChIKey of (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine?
The InChIKey is KRLNSPZPHHCRIC-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-12-10(2)7-8-11-6-4-5-9-13-11/h5,7-12H,3-4,6H2,1-2H3/b8-7+.
What are the key properties of (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine?
(E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3,4-dihydro-2H-pyran-2-yl)-N-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).