CID 101350934

C17H22NO2 — CID 101350934

IUPAC—
SMILESCC(=O)/C=C/c1ccc(C2(C)CCC(C)(C)N2[O])cc1
InChIInChI=1S/C17H22NO2/c1-13(19)5-6-14-7-9-15(10-8-14)17(4)12-11-16(2,3)18(17)20/h5-10H,11-12H2,1-4H3/b6-5+
InChIKeyOGZMARNUUQFRQA-AATRIKPKSA-N
MW272.37 g/mol
LogP3.72
Rot. Bonds3

About CID 101350934

CID 101350934 (PubChem CID 101350934) has the molecular formula C17H22NO2 and a molecular weight of 272.37 g/mol.

Molecular Properties

Compound NameCID 101350934
PubChem CID101350934
Molecular FormulaC17H22NO2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name—
SMILESCC(=O)/C=C/c1ccc(C2(C)CCC(C)(C)N2[O])cc1
InChIInChI=1S/C17H22NO2/c1-13(19)5-6-14-7-9-15(10-8-14)17(4)12-11-16(2,3)18(17)20/h5-10H,11-12H2,1-4H3/b6-5+
InChIKeyOGZMARNUUQFRQA-AATRIKPKSA-N
XLogP3.72
TPSA40.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101350934?
The IUPAC name of CID 101350934 (CID 101350934) is not available.
What is the SMILES notation for CID 101350934?
The canonical SMILES for CID 101350934 is CC(=O)/C=C/c1ccc(C2(C)CCC(C)(C)N2[O])cc1.
What is the InChIKey of CID 101350934?
The InChIKey is OGZMARNUUQFRQA-AATRIKPKSA-N. The full InChI is InChI=1S/C17H22NO2/c1-13(19)5-6-14-7-9-15(10-8-14)17(4)12-11-16(2,3)18(17)20/h5-10H,11-12H2,1-4H3/b6-5+.
What are the key properties of CID 101350934?
CID 101350934 has a molecular weight of 272.37 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101350934 is sourced from PubChem (CID 101350934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).