CID 58371794

C9H16NO2 — CID 58371794

IUPAC—
SMILESCC(C)(C)OC(=O)N1[CH]CCC1
InChIInChI=1S/C9H16NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h6H,4-5,7H2,1-3H3
InChIKeyPYJDSSFDBCRHJH-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.18
Rot. Bonds

About CID 58371794

CID 58371794 (PubChem CID 58371794) has the molecular formula C9H16NO2 and a molecular weight of 170.23 g/mol.

Molecular Properties

Compound NameCID 58371794
PubChem CID58371794
Molecular FormulaC9H16NO2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1[CH]CCC1
InChIInChI=1S/C9H16NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h6H,4-5,7H2,1-3H3
InChIKeyPYJDSSFDBCRHJH-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58371794?
The IUPAC name of CID 58371794 (CID 58371794) is not available.
What is the SMILES notation for CID 58371794?
The canonical SMILES for CID 58371794 is CC(C)(C)OC(=O)N1[CH]CCC1.
What is the InChIKey of CID 58371794?
The InChIKey is PYJDSSFDBCRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h6H,4-5,7H2,1-3H3.
What are the key properties of CID 58371794?
CID 58371794 has a molecular weight of 170.23 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58371794 is sourced from PubChem (CID 58371794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).