CID 162416531

C6H11NO — CID 162416531

IUPAC—
SMILESCN1[C]OCC1(C)C
InChIInChI=1S/C6H11NO/c1-6(2)4-8-5-7(6)3/h4H2,1-3H3
InChIKeyDNEJNJVPQKZSSY-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.72
Rot. Bonds

About CID 162416531

CID 162416531 (PubChem CID 162416531) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 162416531
PubChem CID162416531
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name—
SMILESCN1[C]OCC1(C)C
InChIInChI=1S/C6H11NO/c1-6(2)4-8-5-7(6)3/h4H2,1-3H3
InChIKeyDNEJNJVPQKZSSY-UHFFFAOYSA-N
XLogP0.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 162416531?
The IUPAC name of CID 162416531 (CID 162416531) is not available.
What is the SMILES notation for CID 162416531?
The canonical SMILES for CID 162416531 is CN1[C]OCC1(C)C.
What is the InChIKey of CID 162416531?
The InChIKey is DNEJNJVPQKZSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)4-8-5-7(6)3/h4H2,1-3H3.
What are the key properties of CID 162416531?
CID 162416531 has a molecular weight of 113.16 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162416531 is sourced from PubChem (CID 162416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).