(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone

C12H19NO2 — CID 106655251

IUPAC(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone
SMILESCC1(C(=O)C2=CCCCC2)COCC1N
InChIInChI=1S/C12H19NO2/c1-12(8-15-7-10(12)13)11(14)9-5-3-2-4-6-9/h5,10H,2-4,6-8,13H2,1H3
InChIKeySTZWZAPAZZHVDJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds2

About (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone

(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone (PubChem CID 106655251) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone
PubChem CID106655251
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone
SMILESCC1(C(=O)C2=CCCCC2)COCC1N
InChIInChI=1S/C12H19NO2/c1-12(8-15-7-10(12)13)11(14)9-5-3-2-4-6-9/h5,10H,2-4,6-8,13H2,1H3
InChIKeySTZWZAPAZZHVDJ-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone?
The IUPAC name of (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone (CID 106655251) is (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone?
The canonical SMILES for (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone is CC1(C(=O)C2=CCCCC2)COCC1N.
What is the InChIKey of (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone?
The InChIKey is STZWZAPAZZHVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(8-15-7-10(12)13)11(14)9-5-3-2-4-6-9/h5,10H,2-4,6-8,13H2,1H3.
What are the key properties of (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone?
(4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methyloxolan-3-yl)-(cyclohexen-1-yl)methanone is sourced from PubChem (CID 106655251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).