3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one

C9H15NO2 — CID 102648297

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
SMILESCC(N)CC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-7(10)6-8(11)9-4-2-3-5-12-9/h4,7H,2-3,5-6,10H2,1H3
InChIKeyCXGSRAHBZVVNAB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.99
Rot. Bonds3

About 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one (PubChem CID 102648297) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
PubChem CID102648297
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
SMILESCC(N)CC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-7(10)6-8(11)9-4-2-3-5-12-9/h4,7H,2-3,5-6,10H2,1H3
InChIKeyCXGSRAHBZVVNAB-UHFFFAOYSA-N
XLogP0.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648272
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648288
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648292
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648329
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
CID 102648337
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one
CID 102648339
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648363

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one (CID 102648297) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one is CC(N)CC(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The InChIKey is CXGSRAHBZVVNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(10)6-8(11)9-4-2-3-5-12-9/h4,7H,2-3,5-6,10H2,1H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one is sourced from PubChem (CID 102648297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).