CID 59941556

C7H11N2O2 — CID 59941556

IUPAC—
SMILESCC1CC(=O)N(CC[NH])C1=O
InChIInChI=1S/C7H11N2O2/c1-5-4-6(10)9(3-2-8)7(5)11/h5,8H,2-4H2,1H3
InChIKeyUCBPUHAHXMBDKB-UHFFFAOYSA-N
MW155.18 g/mol
LogP-0.34
Rot. Bonds2

About CID 59941556

CID 59941556 (PubChem CID 59941556) has the molecular formula C7H11N2O2 and a molecular weight of 155.18 g/mol.

Molecular Properties

Compound NameCID 59941556
PubChem CID59941556
Molecular FormulaC7H11N2O2
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name—
SMILESCC1CC(=O)N(CC[NH])C1=O
InChIInChI=1S/C7H11N2O2/c1-5-4-6(10)9(3-2-8)7(5)11/h5,8H,2-4H2,1H3
InChIKeyUCBPUHAHXMBDKB-UHFFFAOYSA-N
XLogP-0.34
TPSA61.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59941556?
The IUPAC name of CID 59941556 (CID 59941556) is not available.
What is the SMILES notation for CID 59941556?
The canonical SMILES for CID 59941556 is CC1CC(=O)N(CC[NH])C1=O.
What is the InChIKey of CID 59941556?
The InChIKey is UCBPUHAHXMBDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O2/c1-5-4-6(10)9(3-2-8)7(5)11/h5,8H,2-4H2,1H3.
What are the key properties of CID 59941556?
CID 59941556 has a molecular weight of 155.18 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59941556 is sourced from PubChem (CID 59941556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).