CID 57427465

C12H12NO2 — CID 57427465

IUPAC—
SMILES[CH2]CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,1-3,8H2
InChIKeyDWTPEBNCAQCIBP-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.90
Rot. Bonds3

About CID 57427465

CID 57427465 (PubChem CID 57427465) has the molecular formula C12H12NO2 and a molecular weight of 202.23 g/mol.

Molecular Properties

Compound NameCID 57427465
PubChem CID57427465
Molecular FormulaC12H12NO2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name—
SMILES[CH2]CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,1-3,8H2
InChIKeyDWTPEBNCAQCIBP-UHFFFAOYSA-N
XLogP1.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
CID 88976080
CID 88976080
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
2-(4-dimethylphosphorylbutyl)isoindole-1,3-dione
CID 10084995
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium
CID 19927294

Frequently Asked Questions

What is the IUPAC name of CID 57427465?
The IUPAC name of CID 57427465 (CID 57427465) is not available.
What is the SMILES notation for CID 57427465?
The canonical SMILES for CID 57427465 is [CH2]CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of CID 57427465?
The InChIKey is DWTPEBNCAQCIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,1-3,8H2.
What are the key properties of CID 57427465?
CID 57427465 has a molecular weight of 202.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57427465 is sourced from PubChem (CID 57427465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).