CID 102388178

C11H20NO3 — CID 102388178

IUPAC—
SMILESCC1CC(OCC2CO2)CC(C)(C)N1[O]
InChIInChI=1S/C11H20NO3/c1-8-4-9(14-6-10-7-15-10)5-11(2,3)12(8)13/h8-10H,4-7H2,1-3H3
InChIKeyICJXMXZHTCQSLE-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.38
Rot. Bonds3

About CID 102388178

CID 102388178 (PubChem CID 102388178) has the molecular formula C11H20NO3 and a molecular weight of 214.28 g/mol.

Molecular Properties

Compound NameCID 102388178
PubChem CID102388178
Molecular FormulaC11H20NO3
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name—
SMILESCC1CC(OCC2CO2)CC(C)(C)N1[O]
InChIInChI=1S/C11H20NO3/c1-8-4-9(14-6-10-7-15-10)5-11(2,3)12(8)13/h8-10H,4-7H2,1-3H3
InChIKeyICJXMXZHTCQSLE-UHFFFAOYSA-N
XLogP1.38
TPSA44.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102388178?
The IUPAC name of CID 102388178 (CID 102388178) is not available.
What is the SMILES notation for CID 102388178?
The canonical SMILES for CID 102388178 is CC1CC(OCC2CO2)CC(C)(C)N1[O].
What is the InChIKey of CID 102388178?
The InChIKey is ICJXMXZHTCQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO3/c1-8-4-9(14-6-10-7-15-10)5-11(2,3)12(8)13/h8-10H,4-7H2,1-3H3.
What are the key properties of CID 102388178?
CID 102388178 has a molecular weight of 214.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102388178 is sourced from PubChem (CID 102388178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).