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

C11H17NO2 — CID 102648485

IUPAC3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESNC(CC(=O)C1=CCCCO1)C1CC1
InChIInChI=1S/C11H17NO2/c12-9(8-4-5-8)7-10(13)11-3-1-2-6-14-11/h3,8-9H,1-2,4-7,12H2
InChIKeyKWANPZUWDGUSOI-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.38
Rot. Bonds4

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

3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (PubChem CID 102648485) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
PubChem CID102648485
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESNC(CC(=O)C1=CCCCO1)C1CC1
InChIInChI=1S/C11H17NO2/c12-9(8-4-5-8)7-10(13)11-3-1-2-6-14-11/h3,8-9H,1-2,4-7,12H2
InChIKeyKWANPZUWDGUSOI-UHFFFAOYSA-N
XLogP1.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The IUPAC name of 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (CID 102648485) is 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.
What is the SMILES notation for 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The canonical SMILES for 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is NC(CC(=O)C1=CCCCO1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The InChIKey is KWANPZUWDGUSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-9(8-4-5-8)7-10(13)11-3-1-2-6-14-11/h3,8-9H,1-2,4-7,12H2.
What are the key properties of 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is sourced from PubChem (CID 102648485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).