CID 11636892

C9H18NO2 — CID 11636892

IUPAC—
SMILESCC(C)OC1CCC(C)(C)N1[O]
InChIInChI=1S/C9H18NO2/c1-7(2)12-8-5-6-9(3,4)10(8)11/h7-8H,5-6H2,1-4H3
InChIKeyRQENXUNYKYPLRU-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.96
Rot. Bonds2

About CID 11636892

CID 11636892 (PubChem CID 11636892) has the molecular formula C9H18NO2 and a molecular weight of 172.25 g/mol.

Molecular Properties

Compound NameCID 11636892
PubChem CID11636892
Molecular FormulaC9H18NO2
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name—
SMILESCC(C)OC1CCC(C)(C)N1[O]
InChIInChI=1S/C9H18NO2/c1-7(2)12-8-5-6-9(3,4)10(8)11/h7-8H,5-6H2,1-4H3
InChIKeyRQENXUNYKYPLRU-UHFFFAOYSA-N
XLogP1.96
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11636892?
The IUPAC name of CID 11636892 (CID 11636892) is not available.
What is the SMILES notation for CID 11636892?
The canonical SMILES for CID 11636892 is CC(C)OC1CCC(C)(C)N1[O].
What is the InChIKey of CID 11636892?
The InChIKey is RQENXUNYKYPLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2/c1-7(2)12-8-5-6-9(3,4)10(8)11/h7-8H,5-6H2,1-4H3.
What are the key properties of CID 11636892?
CID 11636892 has a molecular weight of 172.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11636892 is sourced from PubChem (CID 11636892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).