CID 134957235

C17H17NO3 — CID 134957235

IUPAC—
SMILESCc1ccc2c(c1)[C@@]1(C=C[C@@]3(CCCC3=O)O1)C(=O)N2C
InChIInChI=1S/C17H17NO3/c1-11-5-6-13-12(10-11)17(15(20)18(13)2)9-8-16(21-17)7-3-4-14(16)19/h5-6,8-10H,3-4,7H2,1-2H3/t16-,17+/m1/s1
InChIKeyMUQZNJFCEDYUED-SJORKVTESA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds

About CID 134957235

CID 134957235 (PubChem CID 134957235) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol.

Molecular Properties

Compound NameCID 134957235
PubChem CID134957235
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name—
SMILESCc1ccc2c(c1)[C@@]1(C=C[C@@]3(CCCC3=O)O1)C(=O)N2C
InChIInChI=1S/C17H17NO3/c1-11-5-6-13-12(10-11)17(15(20)18(13)2)9-8-16(21-17)7-3-4-14(16)19/h5-6,8-10H,3-4,7H2,1-2H3/t16-,17+/m1/s1
InChIKeyMUQZNJFCEDYUED-SJORKVTESA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134957235?
The IUPAC name of CID 134957235 (CID 134957235) is not available.
What is the SMILES notation for CID 134957235?
The canonical SMILES for CID 134957235 is Cc1ccc2c(c1)[C@@]1(C=C[C@@]3(CCCC3=O)O1)C(=O)N2C.
What is the InChIKey of CID 134957235?
The InChIKey is MUQZNJFCEDYUED-SJORKVTESA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-5-6-13-12(10-11)17(15(20)18(13)2)9-8-16(21-17)7-3-4-14(16)19/h5-6,8-10H,3-4,7H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of CID 134957235?
CID 134957235 has a molecular weight of 283.33 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134957235 is sourced from PubChem (CID 134957235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).