(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine

C10H17NO — CID 79321693

IUPAC(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCC=CO1)CN
InChIInChI=1S/C10H17NO/c1-2-9(8-11)7-10-5-3-4-6-12-10/h4,6-7,10H,2-3,5,8,11H2,1H3/b9-7+
InChIKeyRGHXMOHMLJNCOP-VQHVLOKHSA-N
MW167.25 g/mol
LogP1.97
Rot. Bonds3

About (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine

(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine (PubChem CID 79321693) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
PubChem CID79321693
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCC=CO1)CN
InChIInChI=1S/C10H17NO/c1-2-9(8-11)7-10-5-3-4-6-12-10/h4,6-7,10H,2-3,5,8,11H2,1H3/b9-7+
InChIKeyRGHXMOHMLJNCOP-VQHVLOKHSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.97
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 (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine (CID 79321693) is (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine is CC/C(=C\C1CCC=CO1)CN.
What is the InChIKey of (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
The InChIKey is RGHXMOHMLJNCOP-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-9(8-11)7-10-5-3-4-6-12-10/h4,6-7,10H,2-3,5,8,11H2,1H3/b9-7+.
What are the key properties of (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine?
(2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79321693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).