starbld0041303

C14H19N2O2 — CID 155894831

IUPAC—
SMILESCC1(C)C(CO)=C(c2cccnc2)C(C)(C)N1[O]
InChIInChI=1S/C14H19N2O2/c1-13(2)11(9-17)12(14(3,4)16(13)18)10-6-5-7-15-8-10/h5-8,17H,9H2,1-4H3
InChIKeySXIOFDIFSHSPAI-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.05
Rot. Bonds2

About starbld0041303

starbld0041303 (PubChem CID 155894831) has the molecular formula C14H19N2O2 and a molecular weight of 247.32 g/mol.

Molecular Properties

Compound Namestarbld0041303
PubChem CID155894831
Molecular FormulaC14H19N2O2
Molecular Weight247.32 g/mol
Exact Mass247.14
IUPAC Name—
SMILESCC1(C)C(CO)=C(c2cccnc2)C(C)(C)N1[O]
InChIInChI=1S/C14H19N2O2/c1-13(2)11(9-17)12(14(3,4)16(13)18)10-6-5-7-15-8-10/h5-8,17H,9H2,1-4H3
InChIKeySXIOFDIFSHSPAI-UHFFFAOYSA-N
XLogP2.05
TPSA56.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of starbld0041303?
The IUPAC name of starbld0041303 (CID 155894831) is not available.
What is the SMILES notation for starbld0041303?
The canonical SMILES for starbld0041303 is CC1(C)C(CO)=C(c2cccnc2)C(C)(C)N1[O].
What is the InChIKey of starbld0041303?
The InChIKey is SXIOFDIFSHSPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O2/c1-13(2)11(9-17)12(14(3,4)16(13)18)10-6-5-7-15-8-10/h5-8,17H,9H2,1-4H3.
What are the key properties of starbld0041303?
starbld0041303 has a molecular weight of 247.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for starbld0041303 is sourced from PubChem (CID 155894831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).