1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile

C16H13BrN2O — CID 115353850

IUPAC1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H13BrN2O/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(20)19-7-1-2-15(19)10-18/h3-6,8-9,15H,1-2,7H2
InChIKeyQIBXAWYXTKLREI-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.73
Rot. Bonds1

About 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile

1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile (PubChem CID 115353850) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile
PubChem CID115353850
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H13BrN2O/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(20)19-7-1-2-15(19)10-18/h3-6,8-9,15H,1-2,7H2
InChIKeyQIBXAWYXTKLREI-UHFFFAOYSA-N
XLogP3.73
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromo-2-hydroxybenzoyl)pyrrolidine-2-carbonitrile
CID 107729572
1-(4-bromo-2-methoxybenzoyl)pyrrolidine-2-carbonitrile
CID 115369074
1-(2-bromopyridine-4-carbonyl)piperidine-2-carbonitrile
CID 114037441
1-(3-chloro-5-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 81323643
1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 107671433
1-(naphthalene-2-carbonyl)aziridine-2-carbonitrile
CID 23461432
1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 113399970
1-(2-bromo-5-chlorobenzoyl)piperidine-2-carbonitrile
CID 114027649
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
1-(4-fluoro-2-iodobenzoyl)pyrrolidine-2-carbonitrile
CID 114029268
1-(2,3,4-trifluorobenzoyl)pyrrolidine-2-carbonitrile
CID 79016668
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
CID 120689631

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile?
The IUPAC name of 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile (CID 115353850) is 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile?
The InChIKey is QIBXAWYXTKLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(20)19-7-1-2-15(19)10-18/h3-6,8-9,15H,1-2,7H2.
What are the key properties of 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile?
1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile has a molecular weight of 329.20 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalene-2-carbonyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 115353850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).