CID 59303680

C9H17NO3 — CID 59303680

IUPAC—
SMILES[CH]C(=O)CN(CCOC)CCOC
InChIInChI=1S/C9H17NO3/c1-9(11)8-10(4-6-12-2)5-7-13-3/h1H,4-8H2,2-3H3
InChIKeyZXHMYGKIHLTBPI-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds8

About CID 59303680

CID 59303680 (PubChem CID 59303680) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol.

Molecular Properties

Compound NameCID 59303680
PubChem CID59303680
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name—
SMILES[CH]C(=O)CN(CCOC)CCOC
InChIInChI=1S/C9H17NO3/c1-9(11)8-10(4-6-12-2)5-7-13-3/h1H,4-8H2,2-3H3
InChIKeyZXHMYGKIHLTBPI-UHFFFAOYSA-N
XLogP-0.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 59303680?
The IUPAC name of CID 59303680 (CID 59303680) is not available.
What is the SMILES notation for CID 59303680?
The canonical SMILES for CID 59303680 is [CH]C(=O)CN(CCOC)CCOC.
What is the InChIKey of CID 59303680?
The InChIKey is ZXHMYGKIHLTBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(11)8-10(4-6-12-2)5-7-13-3/h1H,4-8H2,2-3H3.
What are the key properties of CID 59303680?
CID 59303680 has a molecular weight of 187.24 g/mol, XLogP of -0.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303680 is sourced from PubChem (CID 59303680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).