azane;3-butylidene-2-benzofuran-1-one

C12H15NO2 — CID 174279522

IUPACazane;3-butylidene-2-benzofuran-1-one
SMILESCCCC=C1OC(=O)c2ccccc21.N
InChIInChI=1S/C12H12O2.H3N/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11;/h4-8H,2-3H2,1H3;1H3
InChIKeyOBJDMLVNYLCCIP-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.16
Rot. Bonds2

About azane;3-butylidene-2-benzofuran-1-one

azane;3-butylidene-2-benzofuran-1-one (PubChem CID 174279522) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is azane;3-butylidene-2-benzofuran-1-one.

Molecular Properties

Compound Nameazane;3-butylidene-2-benzofuran-1-one
PubChem CID174279522
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameazane;3-butylidene-2-benzofuran-1-one
SMILESCCCC=C1OC(=O)c2ccccc21.N
InChIInChI=1S/C12H12O2.H3N/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11;/h4-8H,2-3H2,1H3;1H3
InChIKeyOBJDMLVNYLCCIP-UHFFFAOYSA-N
XLogP3.16
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;3-butylidene-2-benzofuran-1-one?
The IUPAC name of azane;3-butylidene-2-benzofuran-1-one (CID 174279522) is azane;3-butylidene-2-benzofuran-1-one.
What is the SMILES notation for azane;3-butylidene-2-benzofuran-1-one?
The canonical SMILES for azane;3-butylidene-2-benzofuran-1-one is CCCC=C1OC(=O)c2ccccc21.N.
What is the InChIKey of azane;3-butylidene-2-benzofuran-1-one?
The InChIKey is OBJDMLVNYLCCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.H3N/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11;/h4-8H,2-3H2,1H3;1H3.
What are the key properties of azane;3-butylidene-2-benzofuran-1-one?
azane;3-butylidene-2-benzofuran-1-one has a molecular weight of 205.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-butylidene-2-benzofuran-1-one is sourced from PubChem (CID 174279522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).