(4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone

C10H15NO3 — CID 102652448

IUPAC(4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone
SMILESCC1(C(=O)C2=CCCO2)COCC1N
InChIInChI=1S/C10H15NO3/c1-10(6-13-5-8(10)11)9(12)7-3-2-4-14-7/h3,8H,2,4-6,11H2,1H3
InChIKeyZWRIAHVSZWNUJM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.22
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102652448) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone
PubChem CID102652448
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone
SMILESCC1(C(=O)C2=CCCO2)COCC1N
InChIInChI=1S/C10H15NO3/c1-10(6-13-5-8(10)11)9(12)7-3-2-4-14-7/h3,8H,2,4-6,11H2,1H3
InChIKeyZWRIAHVSZWNUJM-UHFFFAOYSA-N
XLogP0.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone (CID 102652448) is (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone is CC1(C(=O)C2=CCCO2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is ZWRIAHVSZWNUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(6-13-5-8(10)11)9(12)7-3-2-4-14-7/h3,8H,2,4-6,11H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 197.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102652448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).