CID 58107216

C11H18NO3 — CID 58107216

IUPAC—
SMILESCC(C)(C)C(=O)OC1CC2CCC1N2[O]
InChIInChI=1S/C11H18NO3/c1-11(2,3)10(13)15-9-6-7-4-5-8(9)12(7)14/h7-9H,4-6H2,1-3H3
InChIKeyDWVMNGZLAJZKSG-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.53
Rot. Bonds1

About CID 58107216

CID 58107216 (PubChem CID 58107216) has the molecular formula C11H18NO3 and a molecular weight of 212.27 g/mol.

Molecular Properties

Compound NameCID 58107216
PubChem CID58107216
Molecular FormulaC11H18NO3
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name—
SMILESCC(C)(C)C(=O)OC1CC2CCC1N2[O]
InChIInChI=1S/C11H18NO3/c1-11(2,3)10(13)15-9-6-7-4-5-8(9)12(7)14/h7-9H,4-6H2,1-3H3
InChIKeyDWVMNGZLAJZKSG-UHFFFAOYSA-N
XLogP1.53
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58107216?
The IUPAC name of CID 58107216 (CID 58107216) is not available.
What is the SMILES notation for CID 58107216?
The canonical SMILES for CID 58107216 is CC(C)(C)C(=O)OC1CC2CCC1N2[O].
What is the InChIKey of CID 58107216?
The InChIKey is DWVMNGZLAJZKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3/c1-11(2,3)10(13)15-9-6-7-4-5-8(9)12(7)14/h7-9H,4-6H2,1-3H3.
What are the key properties of CID 58107216?
CID 58107216 has a molecular weight of 212.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58107216 is sourced from PubChem (CID 58107216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).