CID 10981178

C13H18NO3 — CID 10981178

IUPAC—
SMILESCC(C)N(C(=O)[C]1[CH][CH][CH][C]1C(=O)O)C(C)C
InChIInChI=1S/C13H18NO3/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13(16)17/h5-9H,1-4H3,(H,16,17)
InChIKeyUSZQQFLIASQXAK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.49
Rot. Bonds4

About CID 10981178

CID 10981178 (PubChem CID 10981178) has the molecular formula C13H18NO3 and a molecular weight of 236.29 g/mol.

Molecular Properties

Compound NameCID 10981178
PubChem CID10981178
Molecular FormulaC13H18NO3
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name—
SMILESCC(C)N(C(=O)[C]1[CH][CH][CH][C]1C(=O)O)C(C)C
InChIInChI=1S/C13H18NO3/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13(16)17/h5-9H,1-4H3,(H,16,17)
InChIKeyUSZQQFLIASQXAK-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 10981178?
The IUPAC name of CID 10981178 (CID 10981178) is not available.
What is the SMILES notation for CID 10981178?
The canonical SMILES for CID 10981178 is CC(C)N(C(=O)[C]1[CH][CH][CH][C]1C(=O)O)C(C)C.
What is the InChIKey of CID 10981178?
The InChIKey is USZQQFLIASQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO3/c1-8(2)14(9(3)4)12(15)10-6-5-7-11(10)13(16)17/h5-9H,1-4H3,(H,16,17).
What are the key properties of CID 10981178?
CID 10981178 has a molecular weight of 236.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10981178 is sourced from PubChem (CID 10981178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).