3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one

C11H17NO2 — CID 102648309

IUPAC3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESO=C(CCNC1CC1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(6-7-12-9-4-5-9)11-3-1-2-8-14-11/h3,9,12H,1-2,4-8H2
InChIKeyNRVWLJDTUGAJSB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds5

About 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one

3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (PubChem CID 102648309) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
PubChem CID102648309
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESO=C(CCNC1CC1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(6-7-12-9-4-5-9)11-3-1-2-8-14-11/h3,9,12H,1-2,4-8H2
InChIKeyNRVWLJDTUGAJSB-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (CID 102648309) is 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is O=C(CCNC1CC1)C1=CCCCO1.
What is the InChIKey of 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The InChIKey is NRVWLJDTUGAJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(6-7-12-9-4-5-9)11-3-1-2-8-14-11/h3,9,12H,1-2,4-8H2.
What are the key properties of 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is sourced from PubChem (CID 102648309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).