CID 134844807

C17H20N2O- — CID 134844807

IUPAC—
SMILESCN(C)c1ccc([C]([O-])c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3/q-1
InChIKeyDIDAVQXTCGZHGO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.11
Rot. Bonds4

About CID 134844807

CID 134844807 (PubChem CID 134844807) has the molecular formula C17H20N2O- and a molecular weight of 268.36 g/mol.

Molecular Properties

Compound NameCID 134844807
PubChem CID134844807
Molecular FormulaC17H20N2O-
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name—
SMILESCN(C)c1ccc([C]([O-])c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3/q-1
InChIKeyDIDAVQXTCGZHGO-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 134844807?
The IUPAC name of CID 134844807 (CID 134844807) is not available.
What is the SMILES notation for CID 134844807?
The canonical SMILES for CID 134844807 is CN(C)c1ccc([C]([O-])c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of CID 134844807?
The InChIKey is DIDAVQXTCGZHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3/q-1.
What are the key properties of CID 134844807?
CID 134844807 has a molecular weight of 268.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134844807 is sourced from PubChem (CID 134844807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).