6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol

C10H17NO2 — CID 154956540

IUPAC6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol
SMILESCCC[C@@H](N)C1=CC(C)=CC(O)O1
InChIInChI=1S/C10H17NO2/c1-3-4-8(11)9-5-7(2)6-10(12)13-9/h5-6,8,10,12H,3-4,11H2,1-2H3/t8-,10?/m1/s1
InChIKeySVXCZEKBXYQBAH-HNHGDDPOSA-N
MW183.25 g/mol
LogP1.29
Rot. Bonds3

About 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol

6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol (PubChem CID 154956540) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol.

Molecular Properties

Compound Name6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol
PubChem CID154956540
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol
SMILESCCC[C@@H](N)C1=CC(C)=CC(O)O1
InChIInChI=1S/C10H17NO2/c1-3-4-8(11)9-5-7(2)6-10(12)13-9/h5-6,8,10,12H,3-4,11H2,1-2H3/t8-,10?/m1/s1
InChIKeySVXCZEKBXYQBAH-HNHGDDPOSA-N
XLogP1.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol?
The IUPAC name of 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol (CID 154956540) is 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol.
What is the SMILES notation for 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol?
The canonical SMILES for 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol is CCC[C@@H](N)C1=CC(C)=CC(O)O1.
What is the InChIKey of 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol?
The InChIKey is SVXCZEKBXYQBAH-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-8(11)9-5-7(2)6-10(12)13-9/h5-6,8,10,12H,3-4,11H2,1-2H3/t8-,10?/m1/s1.
What are the key properties of 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol?
6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminobutyl]-4-methyl-2H-pyran-2-ol is sourced from PubChem (CID 154956540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).