CID 100936953

C16H19N2O — CID 100936953

IUPAC—
SMILESCC1(C)c2cn(-c3ccccc3)cc2C(C)(C)N1[O]
InChIInChI=1S/C16H19N2O/c1-15(2)13-10-17(12-8-6-5-7-9-12)11-14(13)16(3,4)18(15)19/h5-11H,1-4H3
InChIKeyBRXIFMWXBMSTGC-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.61
Rot. Bonds1

About CID 100936953

CID 100936953 (PubChem CID 100936953) has the molecular formula C16H19N2O and a molecular weight of 255.34 g/mol.

Molecular Properties

Compound NameCID 100936953
PubChem CID100936953
Molecular FormulaC16H19N2O
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name—
SMILESCC1(C)c2cn(-c3ccccc3)cc2C(C)(C)N1[O]
InChIInChI=1S/C16H19N2O/c1-15(2)13-10-17(12-8-6-5-7-9-12)11-14(13)16(3,4)18(15)19/h5-11H,1-4H3
InChIKeyBRXIFMWXBMSTGC-UHFFFAOYSA-N
XLogP3.61
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 100936953?
The IUPAC name of CID 100936953 (CID 100936953) is not available.
What is the SMILES notation for CID 100936953?
The canonical SMILES for CID 100936953 is CC1(C)c2cn(-c3ccccc3)cc2C(C)(C)N1[O].
What is the InChIKey of CID 100936953?
The InChIKey is BRXIFMWXBMSTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O/c1-15(2)13-10-17(12-8-6-5-7-9-12)11-14(13)16(3,4)18(15)19/h5-11H,1-4H3.
What are the key properties of CID 100936953?
CID 100936953 has a molecular weight of 255.34 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100936953 is sourced from PubChem (CID 100936953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).