CID 163589108

C14H13NO3 — CID 163589108

IUPAC—
SMILESCc1ccc2c(c1)C1(CC1)CC21OC(=O)NC1=O
InChIInChI=1S/C14H13NO3/c1-8-2-3-9-10(6-8)13(4-5-13)7-14(9)11(16)15-12(17)18-14/h2-3,6H,4-5,7H2,1H3,(H,15,16,17)
InChIKeyGNZRTAAMPWCQDL-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.89
Rot. Bonds

About CID 163589108

CID 163589108 (PubChem CID 163589108) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol.

Molecular Properties

Compound NameCID 163589108
PubChem CID163589108
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name—
SMILESCc1ccc2c(c1)C1(CC1)CC21OC(=O)NC1=O
InChIInChI=1S/C14H13NO3/c1-8-2-3-9-10(6-8)13(4-5-13)7-14(9)11(16)15-12(17)18-14/h2-3,6H,4-5,7H2,1H3,(H,15,16,17)
InChIKeyGNZRTAAMPWCQDL-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 163589108?
The IUPAC name of CID 163589108 (CID 163589108) is not available.
What is the SMILES notation for CID 163589108?
The canonical SMILES for CID 163589108 is Cc1ccc2c(c1)C1(CC1)CC21OC(=O)NC1=O.
What is the InChIKey of CID 163589108?
The InChIKey is GNZRTAAMPWCQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8-2-3-9-10(6-8)13(4-5-13)7-14(9)11(16)15-12(17)18-14/h2-3,6H,4-5,7H2,1H3,(H,15,16,17).
What are the key properties of CID 163589108?
CID 163589108 has a molecular weight of 243.26 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163589108 is sourced from PubChem (CID 163589108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).