CID 72835928

C12H16NO — CID 72835928

IUPAC—
SMILESCC(C)(C)C1COC([C]2[CH][CH][CH][CH]2)=N1
InChIInChI=1S/C12H16NO/c1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9/h4-7,10H,8H2,1-3H3
InChIKeyDJNWBWWJOSHGAK-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.24
Rot. Bonds1

About CID 72835928

CID 72835928 (PubChem CID 72835928) has the molecular formula C12H16NO and a molecular weight of 190.27 g/mol.

Molecular Properties

Compound NameCID 72835928
PubChem CID72835928
Molecular FormulaC12H16NO
Molecular Weight190.27 g/mol
Exact Mass190.12
IUPAC Name—
SMILESCC(C)(C)C1COC([C]2[CH][CH][CH][CH]2)=N1
InChIInChI=1S/C12H16NO/c1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9/h4-7,10H,8H2,1-3H3
InChIKeyDJNWBWWJOSHGAK-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 72835928?
The IUPAC name of CID 72835928 (CID 72835928) is not available.
What is the SMILES notation for CID 72835928?
The canonical SMILES for CID 72835928 is CC(C)(C)C1COC([C]2[CH][CH][CH][CH]2)=N1.
What is the InChIKey of CID 72835928?
The InChIKey is DJNWBWWJOSHGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO/c1-12(2,3)10-8-14-11(13-10)9-6-4-5-7-9/h4-7,10H,8H2,1-3H3.
What are the key properties of CID 72835928?
CID 72835928 has a molecular weight of 190.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72835928 is sourced from PubChem (CID 72835928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).