CID 58053079

C9H16N2O2 — CID 58053079

IUPAC—
SMILES[CH]CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C9H16N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h1H,2-8H2,(H,12,13)
InChIKeyBOHZBIIAPLQFAC-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.21
Rot. Bonds4

About CID 58053079

CID 58053079 (PubChem CID 58053079) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol.

Molecular Properties

Compound NameCID 58053079
PubChem CID58053079
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name—
SMILES[CH]CN1CCN(CCC(=O)O)CC1
InChIInChI=1S/C9H16N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h1H,2-8H2,(H,12,13)
InChIKeyBOHZBIIAPLQFAC-UHFFFAOYSA-N
XLogP-0.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58053079?
The IUPAC name of CID 58053079 (CID 58053079) is not available.
What is the SMILES notation for CID 58053079?
The canonical SMILES for CID 58053079 is [CH]CN1CCN(CCC(=O)O)CC1.
What is the InChIKey of CID 58053079?
The InChIKey is BOHZBIIAPLQFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h1H,2-8H2,(H,12,13).
What are the key properties of CID 58053079?
CID 58053079 has a molecular weight of 184.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58053079 is sourced from PubChem (CID 58053079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).