1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine

C9H15NO — CID 174526359

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine
SMILES[H]/N=C(\CCC)C1=COCCC1
InChIInChI=1S/C9H15NO/c1-2-4-9(10)8-5-3-6-11-7-8/h7,10H,2-6H2,1H3/b10-9+
InChIKeyOCBDTVRMAMPPOX-MDZDMXLPSA-N
MW153.23 g/mol
LogP2.50
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine

1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine (PubChem CID 174526359) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine
PubChem CID174526359
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine
SMILES[H]/N=C(\CCC)C1=COCCC1
InChIInChI=1S/C9H15NO/c1-2-4-9(10)8-5-3-6-11-7-8/h7,10H,2-6H2,1H3/b10-9+
InChIKeyOCBDTVRMAMPPOX-MDZDMXLPSA-N
XLogP2.50
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine (CID 174526359) is 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine is [H]/N=C(\CCC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine?
The InChIKey is OCBDTVRMAMPPOX-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-4-9(10)8-5-3-6-11-7-8/h7,10H,2-6H2,1H3/b10-9+.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine?
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine has a molecular weight of 153.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-imine is sourced from PubChem (CID 174526359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).