CID 58998042

C7H13NO — CID 58998042

IUPAC—
SMILES[CH]N1CCC(OC)CC1
InChIInChI=1S/C7H13NO/c1-8-5-3-7(9-2)4-6-8/h1,7H,3-6H2,2H3
InChIKeyWYBXDOZDICDLPU-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.77
Rot. Bonds1

About CID 58998042

CID 58998042 (PubChem CID 58998042) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol.

Molecular Properties

Compound NameCID 58998042
PubChem CID58998042
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name—
SMILES[CH]N1CCC(OC)CC1
InChIInChI=1S/C7H13NO/c1-8-5-3-7(9-2)4-6-8/h1,7H,3-6H2,2H3
InChIKeyWYBXDOZDICDLPU-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 58998042 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58998042?
The IUPAC name of CID 58998042 (CID 58998042) is not available.
What is the SMILES notation for CID 58998042?
The canonical SMILES for CID 58998042 is [CH]N1CCC(OC)CC1.
What is the InChIKey of CID 58998042?
The InChIKey is WYBXDOZDICDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-3-7(9-2)4-6-8/h1,7H,3-6H2,2H3.
What are the key properties of CID 58998042?
CID 58998042 has a molecular weight of 127.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998042 is sourced from PubChem (CID 58998042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).