1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione

C17H14ClNO2 — CID 166071098

IUPAC1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione
SMILESCCCc1ccc2c(Cl)cccc2c1N1C(=O)C=CC1=O
InChIInChI=1S/C17H14ClNO2/c1-2-4-11-7-8-12-13(5-3-6-14(12)18)17(11)19-15(20)9-10-16(19)21/h3,5-10H,2,4H2,1H3
InChIKeyNXZXRLCSRRYRPG-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.88
Rot. Bonds3

About 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione

1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione (PubChem CID 166071098) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione
PubChem CID166071098
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione
SMILESCCCc1ccc2c(Cl)cccc2c1N1C(=O)C=CC1=O
InChIInChI=1S/C17H14ClNO2/c1-2-4-11-7-8-12-13(5-3-6-14(12)18)17(11)19-15(20)9-10-16(19)21/h3,5-10H,2,4H2,1H3
InChIKeyNXZXRLCSRRYRPG-UHFFFAOYSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.88
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

N-(2-Methyl-naphth-1-yl)maleimide
CID 62257
1-(4-Chloronaphthalen-1-yl)-4-methyl-5-methylidene-2-oxopyrrole-3-carbonitrile
CID 11630739
1-Anthracen-1-ylpyrrole-2,5-dione
CID 15372228
N-[6-(4-chlorophenyl)-2,3-dimethylphenyl]-N-(2,2,2-trifluoroacetyl)propanamide
CID 139091008
1-[2-(Trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
CID 166071057
1-[6-Chloro-2-(trifluoromethyl)naphthalen-1-yl]pyrrole-2,5-dione
CID 166071128
N-(8-chloro-6-methylnaphthalen-2-yl)acetamide
CID 10728363
6-Chloro-4-methylbenzo[f]quinolin-3-one
CID 54671830
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide
CID 18809087
N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453710
N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1453711
2-(4-chloro-1-naphthyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 134114370

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione (CID 166071098) is 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione is CCCc1ccc2c(Cl)cccc2c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione?
The InChIKey is NXZXRLCSRRYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-2-4-11-7-8-12-13(5-3-6-14(12)18)17(11)19-15(20)9-10-16(19)21/h3,5-10H,2,4H2,1H3.
What are the key properties of 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione?
1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione has a molecular weight of 299.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propylnaphthalen-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 166071098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).